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Showing NP-Card for Viridamide A (NP0007946)

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Record Information
Version2.0
Created at2020-12-09 05:34:02 UTC
Updated at2021-07-15 16:59:00 UTC
NP-MRD IDNP0007946
Secondary Accession NumbersNone
Natural Product Identification
Common NameViridamide A
Provided ByNPAtlasNPAtlas Logo
Description Viridamide A is found in Oscillatoria nigro-viridis. Viridamide A was first documented in 2008 (PMID: 18715036). Based on a literature review very few articles have been published on (2S,3S)-2-(5-methoxy-N-methyldec-9-ynamido)-N-[(1S)-1-{[(1S)-1-{[(2S)-1-{[(2S,3S)-1-[(2S)-2-(methoxycarbonyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]oxy}-3-methyl-1-oxobutan-2-yl](methyl)carbamoyl}-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-methylpropyl]-3-methylpentanimidic acid.
Structure
Thumb
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0007946 (Viridamide A)


  Mrv1652307012119533D          

140140  0  0  0  0            999 V2000
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 52120  1  0  0  0  0
 52121  1  0  0  0  0
 53122  1  1  0  0  0
 54123  1  0  0  0  0
 54124  1  0  0  0  0
 54125  1  0  0  0  0
 55126  1  0  0  0  0
 55127  1  0  0  0  0
 55128  1  0  0  0  0
 56129  1  6  0  0  0
 57130  1  0  0  0  0
 57131  1  0  0  0  0
 57132  1  0  0  0  0
 58133  1  0  0  0  0
 58134  1  0  0  0  0
 59135  1  0  0  0  0
 59136  1  0  0  0  0
 59137  1  0  0  0  0
 61138  1  0  0  0  0
 61139  1  0  0  0  0
 61140  1  0  0  0  0
M  END
Download

3D MOL for NP0007946 (Viridamide A)

     RDKit          3D

140140  0  0  0  0  0  0  0  0999 V2000
    8.6553    2.5486    4.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1726    2.4725    3.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.3522    1.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7491    2.7672    0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4439    2.6345   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6287    2.9539   -1.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3891    2.2428   -2.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428    0.7865   -2.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6456   -0.0069   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.4327   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5396   -1.5900   -2.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216   -2.5572   -0.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7165   -3.8636   -1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -2.7466    0.0251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8824   -2.2914   -0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049   -1.4003   -1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -2.7448   -0.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -2.1288   -1.1337 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5580   -1.5002   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.7088    1.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805   -0.6520   -0.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4288    0.0281    0.1536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6325   -0.7797    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.5824   -0.8897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7372   -0.7786    0.9959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.0375    2.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9079   -1.5911    0.7568 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9809   -0.6918    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6535    0.4340   -0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2914   -1.0486    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2477   -0.0844   -0.4585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0372    0.4863    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3926   -0.1489    1.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4341    1.8731    0.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1231    2.7894   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9342    4.0024   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8606    4.0634    1.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1065    2.5807    1.6072 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.5555    2.4142    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2382    1.7403    0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2479    3.0386    2.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6531    2.8711    2.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8998   -0.9252   -1.4805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.5891   -2.1467   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9341   -0.3120   -2.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1465    0.2074   -1.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4590   -2.3931    1.8361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6623   -3.1806    1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0900   -1.5182    2.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    1.4223   -0.4152 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4409    2.3101    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068    1.3769   -1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -3.2758   -1.9490 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0882   -3.8765   -2.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -2.8708   -2.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847   -2.0455    1.3264 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0863   -2.5041    2.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5303   -2.3382    2.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4797   -1.5536    3.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3346    4.3638   -1.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0326    5.0191   -2.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    2.6155    5.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0003    1.2851    1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    3.0004    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    2.1471    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    3.8216    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1262    1.7841   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    3.5412   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3608    2.9229   -2.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516    2.7197   -3.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    2.4681   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2327    0.5339   -3.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4881    0.4813   -2.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6265    0.3122   -0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    0.2351   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8036   -3.7161   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   -4.0907   -2.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0024   -0.0317    1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0007946 (Viridamide A)


  Mrv1652307012119533D          

140140  0  0  0  0            999 V2000
    8.6553    2.5486    4.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1726    2.4725    3.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.3522    1.7436 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7491    2.7672    0.6957 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4439    2.6345   -0.6338 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6287    2.9539   -1.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3891    2.2428   -2.1575 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4428    0.7865   -2.3717 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6456   -0.0069   -1.1078 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0007946

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C46H79N5O10/c1-16-19-20-23-33(59-14)24-21-26-35(52)49(12)39(31(10)17-2)42(54)47-36(28(4)5)41(53)48-37(29(6)7)43(55)50(13)38(30(8)9)46(58)61-40(32(11)18-3)44(56)51-27-22-25-34(51)45(57)60-15/h1,28-34,36-40H,17-27H2,2-15H3,(H,47,54)(H,48,53)/t31-,32-,33-,34-,36-,37-,38-,39-,40-/m0/s1

> <INCHI_KEY>
XKUKFJXRMIGFKU-QHUKCZFVSA-N

> <FORMULA>
C46H79N5O10

> <MOLECULAR_WEIGHT>
862.163

> <EXACT_MASS>
861.582693764

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
97.88559779839575

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2S)-1-[(2S,3S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(5S)-5-methoxy-N-methyldec-9-ynamido]-3-methylpentanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methylbutanoyl]oxy}-3-methylpentanoyl]pyrrolidine-2-carboxylate

> <ALOGPS_LOGP>
5.04

> <JCHEM_LOGP>
5.740995822333331

> <ALOGPS_LOGS>
-5.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.254445989811291

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.198477123460155

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7728844664617135

> <JCHEM_POLAR_SURFACE_AREA>
180.96

> <JCHEM_REFRACTIVITY>
232.62610000000012

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.33e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S)-1-[(2S,3S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(5S)-5-methoxy-N-methyldec-9-ynamido]-3-methylpentanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methylbutanoyl]oxy}-3-methylpentanoyl]pyrrolidine-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0007946 (Viridamide A)

     RDKit          3D

140140  0  0  0  0  0  0  0  0999 V2000
    8.6553    2.5486    4.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1726    2.4725    3.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.3522    1.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7491    2.7672    0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4439    2.6345   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6287    2.9539   -1.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3891    2.2428   -2.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428    0.7865   -2.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6456   -0.0069   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.4327   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5396   -1.5900   -2.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216   -2.5572   -0.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7165   -3.8636   -1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -2.7466    0.0251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8824   -2.2914   -0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049   -1.4003   -1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -2.7448   -0.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -2.1288   -1.1337 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5580   -1.5002   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.7088    1.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805   -0.6520   -0.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4288    0.0281    0.1536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6325   -0.7797    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.5824   -0.8897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7372   -0.7786    0.9959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.0375    2.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9079   -1.5911    0.7568 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9809   -0.6918    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6535    0.4340   -0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2914   -1.0486    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2477   -0.0844   -0.4585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0372    0.4863    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3926   -0.1489    1.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4341    1.8731    0.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1231    2.7894   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9342    4.0024   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8606    4.0634    1.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1065    2.5807    1.6072 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.5555    2.4142    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2382    1.7403    0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2479    3.0386    2.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6531    2.8711    2.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8998   -0.9252   -1.4805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.5891   -2.1467   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9341   -0.3120   -2.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1465    0.2074   -1.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4590   -2.3931    1.8361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6623   -3.1806    1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0900   -1.5182    2.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    1.4223   -0.4152 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4409    2.3101    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068    1.3769   -1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -3.2758   -1.9490 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0882   -3.8765   -2.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -2.8708   -2.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847   -2.0455    1.3264 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0863   -2.5041    2.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5303   -2.3382    2.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4797   -1.5536    3.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3346    4.3638   -1.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0326    5.0191   -2.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    2.6155    5.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0003    1.2851    1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    3.0004    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    2.1471    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    3.8216    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1262    1.7841   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    3.5412   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3608    2.9229   -2.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516    2.7197   -3.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    2.4681   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2327    0.5339   -3.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4881    0.4813   -2.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6265    0.3122   -0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    0.2351   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8036   -3.7161   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   -4.0907   -2.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5956   -4.6652   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9874   -3.8401    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4066   -3.4544    0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -1.3947   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153   -0.4640   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -0.0317    1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8634   -0.5305    3.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.3815    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736    0.9185    2.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -2.2463   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6362    0.6972   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0408    3.1143   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2845    2.3746   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9961    3.9491   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4542    4.9497   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9075    4.4260    1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6857    4.6895    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6232    2.3863    2.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1206    3.4108    1.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0307    3.3442    3.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8237    1.7740    2.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1560   -1.4123   -2.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9153   -1.8544    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7945   -2.9000   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3722   -2.5516   -1.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2031   -1.1241   -3.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4147    0.5086   -2.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1196   -0.1543   -0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0317   -0.2847   -2.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3002    1.2712   -1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951   -3.1517    2.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6236   -2.7724    1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5793   -3.2590    0.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   -4.2377    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1822   -1.8121    3.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1538   -0.4608    2.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6474   -1.7037    3.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5116    1.8530   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061    3.3785   -0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209    2.0957    0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    2.4028    1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618    2.2421   -2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452    0.4194   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    1.5148   -2.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510   -4.0810   -1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -3.1169   -3.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499   -4.6880   -3.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837   -4.2690   -2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1482   -1.9280   -3.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460   -2.9214   -2.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -3.6481   -3.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1187   -0.9311    1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3953   -2.3489    3.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416   -3.5897    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860   -1.9379    1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6513   -3.4029    2.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4738   -1.0787    3.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1897   -2.2435    4.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230    6.0960   -2.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    4.9007   -2.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8745    4.6090   -3.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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 13 78  1  0
 14 79  1  1
 17 80  1  0
 18 81  1  6
 21 82  1  0
 22 83  1  1
 26 84  1  0
 26 85  1  0
 26 86  1  0
 27 87  1  6
 31 88  1  6
 35 89  1  0
 35 90  1  0
 36 91  1  0
 36 92  1  0
 37 93  1  0
 37 94  1  0
 38 95  1  1
 42 96  1  0
 42 97  1  0
 42 98  1  0
 43 99  1  6
 44100  1  0
 44101  1  0
 44102  1  0
 45103  1  0
 45104  1  0
 46105  1  0
 46106  1  0
 46107  1  0
 47108  1  1
 48109  1  0
 48110  1  0
 48111  1  0
 49112  1  0
 49113  1  0
 49114  1  0
 50115  1  6
 51116  1  0
 51117  1  0
 51118  1  0
 52119  1  0
 52120  1  0
 52121  1  0
 53122  1  1
 54123  1  0
 54124  1  0
 54125  1  0
 55126  1  0
 55127  1  0
 55128  1  0
 56129  1  6
 57130  1  0
 57131  1  0
 57132  1  0
 58133  1  0
 58134  1  0
 59135  1  0
 59136  1  0
 59137  1  0
 61138  1  0
 61139  1  0
 61140  1  0
M  END
Download

PDB for NP0007946 (Viridamide A)

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0       8.655   2.549   4.147  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.173   2.473   3.058  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.792   2.352   1.744  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.749   2.767   0.696  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.444   2.635  -0.634  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.629   2.954  -1.825  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.389   2.243  -2.158  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.443   0.787  -2.372  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.646  -0.007  -1.108  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.752  -1.433  -1.474  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.540  -1.590  -2.517  0.00  0.00           O+0
HETATM   12  N   UNK     0       7.222  -2.557  -0.948  0.00  0.00           N+0
HETATM   13  C   UNK     0       7.716  -3.864  -1.521  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.186  -2.747   0.025  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.882  -2.291  -0.627  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.005  -1.400  -1.552  0.00  0.00           O+0
HETATM   17  N   UNK     0       3.604  -2.745  -0.324  0.00  0.00           N+0
HETATM   18  C   UNK     0       2.515  -2.129  -1.134  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.558  -1.500  -0.212  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.620  -1.709   1.007  0.00  0.00           O+0
HETATM   21  N   UNK     0       0.581  -0.652  -0.753  0.00  0.00           N+0
HETATM   22  C   UNK     0      -0.429   0.028   0.154  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.633  -0.780   0.076  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.755  -1.582  -0.890  0.00  0.00           O+0
HETATM   25  N   UNK     0      -2.737  -0.779   0.996  0.00  0.00           N+0
HETATM   26  C   UNK     0      -2.635   0.038   2.170  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.908  -1.591   0.757  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.981  -0.692   0.180  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.654   0.434  -0.296  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.291  -1.049   0.152  0.00  0.00           O+0
HETATM   31  C   UNK     0      -7.248  -0.084  -0.459  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.037   0.486   0.630  0.00  0.00           C+0
HETATM   33  O   UNK     0      -8.393  -0.149   1.651  0.00  0.00           O+0
HETATM   34  N   UNK     0      -8.434   1.873   0.570  0.00  0.00           N+0
HETATM   35  C   UNK     0      -8.123   2.789  -0.540  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.934   4.002  -0.226  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.861   4.063   1.290  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.107   2.581   1.607  0.00  0.00           C+0
HETATM   39  C   UNK     0     -10.556   2.414   1.708  0.00  0.00           C+0
HETATM   40  O   UNK     0     -11.238   1.740   0.902  0.00  0.00           O+0
HETATM   41  O   UNK     0     -11.248   3.039   2.762  0.00  0.00           O+0
HETATM   42  C   UNK     0     -12.653   2.871   2.835  0.00  0.00           C+0
HETATM   43  C   UNK     0      -7.900  -0.925  -1.480  0.00  0.00           C+0
HETATM   44  C   UNK     0      -8.589  -2.147  -0.801  0.00  0.00           C+0
HETATM   45  C   UNK     0      -8.934  -0.312  -2.375  0.00  0.00           C+0
HETATM   46  C   UNK     0     -10.146   0.207  -1.685  0.00  0.00           C+0
HETATM   47  C   UNK     0      -4.459  -2.393   1.836  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.662  -3.181   1.265  0.00  0.00           C+0
HETATM   49  C   UNK     0      -5.090  -1.518   2.932  0.00  0.00           C+0
HETATM   50  C   UNK     0      -0.520   1.422  -0.415  0.00  0.00           C+0
HETATM   51  C   UNK     0      -1.441   2.310   0.313  0.00  0.00           C+0
HETATM   52  C   UNK     0      -0.807   1.377  -1.910  0.00  0.00           C+0
HETATM   53  C   UNK     0       1.934  -3.276  -1.949  0.00  0.00           C+0
HETATM   54  C   UNK     0       3.088  -3.877  -2.791  0.00  0.00           C+0
HETATM   55  C   UNK     0       0.899  -2.871  -2.937  0.00  0.00           C+0
HETATM   56  C   UNK     0       6.285  -2.046   1.326  0.00  0.00           C+0
HETATM   57  C   UNK     0       5.086  -2.504   2.169  0.00  0.00           C+0
HETATM   58  C   UNK     0       7.530  -2.338   2.093  0.00  0.00           C+0
HETATM   59  C   UNK     0       7.480  -1.554   3.399  0.00  0.00           C+0
HETATM   60  O   UNK     0       8.335   4.364  -1.771  0.00  0.00           O+0
HETATM   61  C   UNK     0       9.033   5.019  -2.765  0.00  0.00           C+0
HETATM   62  H   UNK     0       8.221   2.615   5.121  0.00  0.00           H+0
HETATM   63  H   UNK     0      10.000   1.285   1.534  0.00  0.00           H+0
HETATM   64  H   UNK     0      10.669   3.000   1.667  0.00  0.00           H+0
HETATM   65  H   UNK     0       7.850   2.147   0.784  0.00  0.00           H+0
HETATM   66  H   UNK     0       8.436   3.822   0.894  0.00  0.00           H+0
HETATM   67  H   UNK     0      10.126   1.784  -0.707  0.00  0.00           H+0
HETATM   68  H   UNK     0      10.229   3.541  -0.633  0.00  0.00           H+0
HETATM   69  H   UNK     0       9.361   2.923  -2.713  0.00  0.00           H+0
HETATM   70  H   UNK     0       6.952   2.720  -3.090  0.00  0.00           H+0
HETATM   71  H   UNK     0       6.648   2.468  -1.318  0.00  0.00           H+0
HETATM   72  H   UNK     0       8.233   0.534  -3.124  0.00  0.00           H+0
HETATM   73  H   UNK     0       6.488   0.481  -2.887  0.00  0.00           H+0
HETATM   74  H   UNK     0       8.627   0.312  -0.652  0.00  0.00           H+0
HETATM   75  H   UNK     0       6.887   0.235  -0.358  0.00  0.00           H+0
HETATM   76  H   UNK     0       8.804  -3.716  -1.681  0.00  0.00           H+0
HETATM   77  H   UNK     0       7.148  -4.091  -2.424  0.00  0.00           H+0
HETATM   78  H   UNK     0       7.596  -4.665  -0.782  0.00  0.00           H+0
HETATM   79  H   UNK     0       5.987  -3.840   0.231  0.00  0.00           H+0
HETATM   80  H   UNK     0       3.407  -3.454   0.384  0.00  0.00           H+0
HETATM   81  H   UNK     0       2.902  -1.395  -1.841  0.00  0.00           H+0
HETATM   82  H   UNK     0       0.515  -0.464  -1.753  0.00  0.00           H+0
HETATM   83  H   UNK     0       0.002  -0.032   1.144  0.00  0.00           H+0
HETATM   84  H   UNK     0      -2.863  -0.531   3.107  0.00  0.00           H+0
HETATM   85  H   UNK     0      -1.586   0.382   2.354  0.00  0.00           H+0
HETATM   86  H   UNK     0      -3.274   0.919   2.068  0.00  0.00           H+0
HETATM   87  H   UNK     0      -3.656  -2.246  -0.146  0.00  0.00           H+0
HETATM   88  H   UNK     0      -6.636   0.697  -0.882  0.00  0.00           H+0
HETATM   89  H   UNK     0      -7.041   3.114  -0.422  0.00  0.00           H+0
HETATM   90  H   UNK     0      -8.284   2.375  -1.525  0.00  0.00           H+0
HETATM   91  H   UNK     0      -9.996   3.949  -0.498  0.00  0.00           H+0
HETATM   92  H   UNK     0      -8.454   4.950  -0.574  0.00  0.00           H+0
HETATM   93  H   UNK     0      -7.907   4.426   1.679  0.00  0.00           H+0
HETATM   94  H   UNK     0      -9.686   4.689   1.653  0.00  0.00           H+0
HETATM   95  H   UNK     0      -8.623   2.386   2.602  0.00  0.00           H+0
HETATM   96  H   UNK     0     -13.121   3.411   1.977  0.00  0.00           H+0
HETATM   97  H   UNK     0     -13.031   3.344   3.746  0.00  0.00           H+0
HETATM   98  H   UNK     0     -12.824   1.774   2.782  0.00  0.00           H+0
HETATM   99  H   UNK     0      -7.156  -1.412  -2.182  0.00  0.00           H+0
HETATM  100  H   UNK     0      -8.915  -1.854   0.205  0.00  0.00           H+0
HETATM  101  H   UNK     0      -7.795  -2.900  -0.679  0.00  0.00           H+0
HETATM  102  H   UNK     0      -9.372  -2.552  -1.442  0.00  0.00           H+0
HETATM  103  H   UNK     0      -9.203  -1.124  -3.125  0.00  0.00           H+0
HETATM  104  H   UNK     0      -8.415   0.509  -2.965  0.00  0.00           H+0
HETATM  105  H   UNK     0     -10.120  -0.154  -0.641  0.00  0.00           H+0
HETATM  106  H   UNK     0     -11.032  -0.285  -2.204  0.00  0.00           H+0
HETATM  107  H   UNK     0     -10.300   1.271  -1.827  0.00  0.00           H+0
HETATM  108  H   UNK     0      -3.795  -3.152   2.281  0.00  0.00           H+0
HETATM  109  H   UNK     0      -6.624  -2.772   1.616  0.00  0.00           H+0
HETATM  110  H   UNK     0      -5.579  -3.259   0.172  0.00  0.00           H+0
HETATM  111  H   UNK     0      -5.658  -4.238   1.659  0.00  0.00           H+0
HETATM  112  H   UNK     0      -6.182  -1.812   3.076  0.00  0.00           H+0
HETATM  113  H   UNK     0      -5.154  -0.461   2.646  0.00  0.00           H+0
HETATM  114  H   UNK     0      -4.647  -1.704   3.927  0.00  0.00           H+0
HETATM  115  H   UNK     0       0.512   1.853  -0.311  0.00  0.00           H+0
HETATM  116  H   UNK     0      -1.306   3.378  -0.078  0.00  0.00           H+0
HETATM  117  H   UNK     0      -2.521   2.096   0.180  0.00  0.00           H+0
HETATM  118  H   UNK     0      -1.149   2.403   1.369  0.00  0.00           H+0
HETATM  119  H   UNK     0      -1.462   2.242  -2.153  0.00  0.00           H+0
HETATM  120  H   UNK     0      -1.245   0.419  -2.177  0.00  0.00           H+0
HETATM  121  H   UNK     0       0.131   1.515  -2.475  0.00  0.00           H+0
HETATM  122  H   UNK     0       1.551  -4.081  -1.311  0.00  0.00           H+0
HETATM  123  H   UNK     0       3.473  -3.117  -3.488  0.00  0.00           H+0
HETATM  124  H   UNK     0       2.650  -4.688  -3.422  0.00  0.00           H+0
HETATM  125  H   UNK     0       3.884  -4.269  -2.121  0.00  0.00           H+0
HETATM  126  H   UNK     0       1.148  -1.928  -3.480  0.00  0.00           H+0
HETATM  127  H   UNK     0      -0.146  -2.921  -2.578  0.00  0.00           H+0
HETATM  128  H   UNK     0       0.928  -3.648  -3.764  0.00  0.00           H+0
HETATM  129  H   UNK     0       6.119  -0.931   1.280  0.00  0.00           H+0
HETATM  130  H   UNK     0       5.395  -2.349   3.231  0.00  0.00           H+0
HETATM  131  H   UNK     0       5.042  -3.590   2.025  0.00  0.00           H+0
HETATM  132  H   UNK     0       4.186  -1.938   1.994  0.00  0.00           H+0
HETATM  133  H   UNK     0       7.651  -3.403   2.351  0.00  0.00           H+0
HETATM  134  H   UNK     0       8.450  -2.031   1.514  0.00  0.00           H+0
HETATM  135  H   UNK     0       6.693  -0.795   3.301  0.00  0.00           H+0
HETATM  136  H   UNK     0       8.474  -1.079   3.604  0.00  0.00           H+0
HETATM  137  H   UNK     0       7.190  -2.244   4.219  0.00  0.00           H+0
HETATM  138  H   UNK     0       8.823   6.096  -2.740  0.00  0.00           H+0
HETATM  139  H   UNK     0      10.130   4.901  -2.571  0.00  0.00           H+0
HETATM  140  H   UNK     0       8.874   4.609  -3.782  0.00  0.00           H+0
CONECT    1    2   62                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   63   64                                             
CONECT    4    3    5   65   66                                             
CONECT    5    4    6   67   68                                             
CONECT    6    5    7   60   69                                             
CONECT    7    6    8   70   71                                             
CONECT    8    7    9   72   73                                             
CONECT    9    8   10   74   75                                             
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12   76   77   78                                             
CONECT   14   12   15   56   79                                             
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   80                                                  
CONECT   18   17   19   53   81                                             
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   82                                                  
CONECT   22   21   23   50   83                                             
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25   84   85   86                                             
CONECT   27   25   28   47   87                                             
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   43   88                                             
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   38                                                  
CONECT   35   34   36   89   90                                             
CONECT   36   35   37   91   92                                             
CONECT   37   36   38   93   94                                             
CONECT   38   37   39   34   95                                             
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   96   97   98                                             
CONECT   43   31   44   45   99                                             
CONECT   44   43  100  101  102                                             
CONECT   45   43   46  103  104                                             
CONECT   46   45  105  106  107                                             
CONECT   47   27   48   49  108                                             
CONECT   48   47  109  110  111                                             
CONECT   49   47  112  113  114                                             
CONECT   50   22   51   52  115                                             
CONECT   51   50  116  117  118                                             
CONECT   52   50  119  120  121                                             
CONECT   53   18   54   55  122                                             
CONECT   54   53  123  124  125                                             
CONECT   55   53  126  127  128                                             
CONECT   56   14   57   58  129                                             
CONECT   57   56  130  131  132                                             
CONECT   58   56   59  133  134                                             
CONECT   59   58  135  136  137                                             
CONECT   60    6   61                                                       
CONECT   61   60  138  139  140                                             
CONECT   62    1                                                            
CONECT   63    3                                                            
CONECT   64    3                                                            
CONECT   65    4                                                            
CONECT   66    4                                                            
CONECT   67    5                                                            
CONECT   68    5                                                            
CONECT   69    6                                                            
CONECT   70    7                                                            
CONECT   71    7                                                            
CONECT   72    8                                                            
CONECT   73    8                                                            
CONECT   74    9                                                            
CONECT   75    9                                                            
CONECT   76   13                                                            
CONECT   77   13                                                            
CONECT   78   13                                                            
CONECT   79   14                                                            
CONECT   80   17                                                            
CONECT   81   18                                                            
CONECT   82   21                                                            
CONECT   83   22                                                            
CONECT   84   26                                                            
CONECT   85   26                                                            
CONECT   86   26                                                            
CONECT   87   27                                                            
CONECT   88   31                                                            
CONECT   89   35                                                            
CONECT   90   35                                                            
CONECT   91   36                                                            
CONECT   92   36                                                            
CONECT   93   37                                                            
CONECT   94   37                                                            
CONECT   95   38                                                            
CONECT   96   42                                                            
CONECT   97   42                                                            
CONECT   98   42                                                            
CONECT   99   43                                                            
CONECT  100   44                                                            
CONECT  101   44                                                            
CONECT  102   44                                                            
CONECT  103   45                                                            
CONECT  104   45                                                            
CONECT  105   46                                                            
CONECT  106   46                                                            
CONECT  107   46                                                            
CONECT  108   47                                                            
CONECT  109   48                                                            
CONECT  110   48                                                            
CONECT  111   48                                                            
CONECT  112   49                                                            
CONECT  113   49                                                            
CONECT  114   49                                                            
CONECT  115   50                                                            
CONECT  116   51                                                            
CONECT  117   51                                                            
CONECT  118   51                                                            
CONECT  119   52                                                            
CONECT  120   52                                                            
CONECT  121   52                                                            
CONECT  122   53                                                            
CONECT  123   54                                                            
CONECT  124   54                                                            
CONECT  125   54                                                            
CONECT  126   55                                                            
CONECT  127   55                                                            
CONECT  128   55                                                            
CONECT  129   56                                                            
CONECT  130   57                                                            
CONECT  131   57                                                            
CONECT  132   57                                                            
CONECT  133   58                                                            
CONECT  134   58                                                            
CONECT  135   59                                                            
CONECT  136   59                                                            
CONECT  137   59                                                            
CONECT  138   61                                                            
CONECT  139   61                                                            
CONECT  140   61                                                            
MASTER        0    0    0    0    0    0    0    0  140    0  280    0
END
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3D PDB for NP0007946 (Viridamide A)

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SMILES for NP0007946 (Viridamide A)
[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
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INCHI for NP0007946 (Viridamide A)
InChI=1S/C46H79N5O10/c1-16-19-20-23-33(59-14)24-21-26-35(52)49(12)39(31(10)17-2)42(54)47-36(28(4)5)41(53)48-37(29(6)7)43(55)50(13)38(30(8)9)46(58)61-40(32(11)18-3)44(56)51-27-22-25-34(51)45(57)60-15/h1,28-34,36-40H,17-27H2,2-15H3,(H,47,54)(H,48,53)/t31-,32-,33-,34-,36-,37-,38-,39-,40-/m0/s1
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Synonyms
ValueSource
(2S,3S)-2-(5-Methoxy-N-methyldec-9-ynamido)-N-[(1S)-1-{[(1S)-1-{[(2S)-1-{[(2S,3S)-1-[(2S)-2-(methoxycarbonyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]oxy}-3-methyl-1-oxobutan-2-yl](methyl)carbamoyl}-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-methylpropyl]-3-methylpentanimidateGenerator
Chemical FormulaC46H79N5O10
Average Mass862.1630 Da
Monoisotopic Mass861.58269 Da
IUPAC Namemethyl (2S)-1-[(2S,3S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(5S)-5-methoxy-N-methyldec-9-ynamido]-3-methylpentanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methylbutanoyl]oxy}-3-methylpentanoyl]pyrrolidine-2-carboxylate
Traditional Namemethyl (2S)-1-[(2S,3S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(5S)-5-methoxy-N-methyldec-9-ynamido]-3-methylpentanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methylbutanoyl]oxy}-3-methylpentanoyl]pyrrolidine-2-carboxylate
CAS Registry NumberNot Available
SMILES
CC[C@H](C)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CCCC(CCCC#C)OC)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)OC
InChI Identifier
InChI=1S/C46H79N5O10/c1-16-19-20-23-33(59-14)24-21-26-35(52)49(12)39(31(10)17-2)42(54)47-36(28(4)5)41(53)48-37(29(6)7)43(55)50(13)38(30(8)9)46(58)61-40(32(11)18-3)44(56)51-27-22-25-34(51)45(57)60-15/h1,28-34,36-40H,17-27H2,2-15H3,(H,47,54)(H,48,53)/t31-,32-,33?,34-,36-,37-,38-,39-,40-/m0/s1
InChI KeyXKUKFJXRMIGFKU-QHUKCZFVSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Oscillatoria nigro-viridisNPAtlas
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP5.04ALOGPS
logP5.74ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)-0.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area180.96 ŲChemAxon
Rotatable Bond Count28ChemAxon
Refractivity232.63 m³·mol⁻¹ChemAxon
Polarizability97.89 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA011996  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID24689495  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25111596  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Simmons TL, Engene N, Urena LD, Romero LI, Ortega-Barria E, Gerwick L, Gerwick WH: Viridamides A and B, lipodepsipeptides with antiprotozoal activity from the marine cyanobacterium Oscillatoria nigro-viridis. J Nat Prod. 2008 Sep;71(9):1544-50. doi: 10.1021/np800110e. Epub 2008 Aug 21. [PubMed:18715036  ]