NP-MRD: Showing NP-Card for Valyl-respirantin (NP0007143)

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Record Information

Version

2.0

Created at

2020-12-09 04:01:05 UTC

Updated at

2021-07-15 16:56:47 UTC

NP-MRD ID

NP0007143

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Valyl-respirantin

Provided By

NPAtlas

Description

Valyl-respirantin is found in Kitasatospora sp. Based on a literature review very few articles have been published on N-[(2S,5S,8S,13S,16R,17S)-5-(butan-2-yl)-6-hydroxy-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,9,11,14,18-pentaoxo-13-(propan-2-yl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzene-1-carboximidic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012119093D          

103104  0  0  0  0            999 V2000
    4.7385   -4.3086   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809   -4.4996    0.4138 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8662   -3.2406    0.9157 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6155   -3.5971    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -2.2190   -0.1538 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6511   -2.7097   -1.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -2.1986   -1.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -1.9120   -2.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -1.9240   -1.0164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4707   -3.2375   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.8477   -1.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984   -0.4776   -2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -0.7695   -3.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4183    0.4158   -1.8850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3467   -0.2935   -1.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -0.3672   -1.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0321    0.2292   -2.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7922   -0.9890   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0753   -0.9318   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1744   -1.4867   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9955   -2.1669    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7475   -2.2599    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5687   -2.9433    2.4476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6150   -3.5383    3.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8216   -3.5978    2.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6569   -1.6701    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -1.7707    1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721    1.6589   -1.2036 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1456    1.3651    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    2.3286   -2.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    2.4436   -2.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.8263   -3.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487    3.3265   -1.4252 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3549    4.7871   -1.6909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8069    5.0383   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    5.1675   -3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    3.2200   -1.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    2.3025   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.3333   -1.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189    2.4471    0.1787 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1750    3.9347    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663    2.1570    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    1.6616    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924    2.1859   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    0.3153    0.9860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7803    0.2125    2.3071 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1725    0.6333    2.5248 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2230   -0.0796    1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4016    2.1279    2.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.6555   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164   -1.5363   -0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828   -1.7571   -1.9512 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2705   -3.3865   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740   -5.1531   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733   -4.4143   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -5.0747    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534   -5.1731   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732   -2.8112    1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736   -2.7405    2.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837   -4.4295    2.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -3.9838    0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432   -1.4268    0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3634   -1.8011    0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -3.1996   -1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -3.3753   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054   -4.1033   -1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081    0.7980   -2.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0085   -0.7472   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2289   -0.4071   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1464   -1.3962   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9077   -2.5741    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5925   -3.0269    2.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3507   -4.0566    4.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1376   -2.2060    1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7984    2.2447   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376    0.5991    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116    0.9951   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    2.2635    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354    3.1573   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422    5.4551   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    4.5562   -0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267    6.1277   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    4.7363   -2.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    4.3898   -3.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    6.1145   -3.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773    5.3946   -3.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    4.5509    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494    4.2125   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    4.1774    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    1.4073    0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2723    3.1129    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751    1.7921    2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    0.0576    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -0.8713    2.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1546    0.7336    3.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    0.2824    3.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9488   -1.1488    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2132   -0.0822    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4580    0.3901    0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1073    2.4737    1.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393    2.4298    3.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4615    2.7137    2.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893   -0.7093   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 14 28  1  0  0  0  0
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 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
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 26 18  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2 56  1  0  0  0  0
  2 57  1  0  0  0  0
  3 58  1  1  0  0  0
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  4 60  1  0  0  0  0
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M  END

     RDKit          3D

103104  0  0  0  0  0  0  0  0999 V2000
    4.7385   -4.3086   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809   -4.4996    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -3.2406    0.9157 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6155   -3.5971    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -2.2190   -0.1538 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6511   -2.7097   -1.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -2.1986   -1.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -1.9120   -2.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -1.9240   -1.0164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4707   -3.2375   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.8477   -1.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984   -0.4776   -2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -0.7695   -3.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4183    0.4158   -1.8850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3467   -0.2935   -1.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0753   -0.9318   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7475   -2.2599    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5687   -2.9433    2.4476 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0875    2.3286   -2.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0487    3.3265   -1.4252 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3549    4.7871   -1.6909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8069    5.0383   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    5.1675   -3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    3.2200   -1.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    2.3025   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.3333   -1.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307012119093D          

103104  0  0  0  0            999 V2000
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 26 18  1  0  0  0  0
  1 53  1  0  0  0  0
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 49100  1  0  0  0  0
 49101  1  0  0  0  0
 49102  1  0  0  0  0
 50103  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0007143

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(N([H])C([H])=O)C([H])=C([H])C([H])=C1C(=O)N([H])[C@]1([H])C(=O)O[C@]([H])(C(=O)O[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)C(C(=O)O[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([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])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C36H51N3O13/c1-11-19(6)28-31(44)38-24(15-17(2)3)29(42)36(9,10)35(48)52-27(18(4)5)34(47)49-20(7)25(33(46)50-21(8)32(45)51-28)39-30(43)22-13-12-14-23(26(22)41)37-16-40/h12-14,16-21,24-25,27-28,41H,11,15H2,1-10H3,(H,37,40)(H,38,44)(H,39,43)/t19-,20+,21-,24-,25-,27-,28-/m0/s1

> <INCHI_KEY>
NBVBHNUFSYRTEN-OQFKUZRZSA-N

> <FORMULA>
C36H51N3O13

> <MOLECULAR_WEIGHT>
733.812

> <EXACT_MASS>
733.342188714

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
75.60562786776731

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-13-(propan-2-yl)-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-formamido-2-hydroxybenzamide

> <ALOGPS_LOGP>
2.37

> <JCHEM_LOGP>
5.499821882666667

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.177414965353016

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.5102182570555005

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8657158561171885

> <JCHEM_POLAR_SURFACE_AREA>
229.79999999999993

> <JCHEM_REFRACTIVITY>
184.0120000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.67e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-13-isopropyl-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-formamido-2-hydroxybenzamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

103104  0  0  0  0  0  0  0  0999 V2000
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 49101  1  0
 49102  1  0
 50103  1  0
M  END

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       4.739  -4.309  -0.395  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.481  -4.500   0.414  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.866  -3.241   0.916  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.615  -3.597   1.706  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.548  -2.219  -0.154  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.651  -2.710  -1.109  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.600  -2.199  -1.747  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.573  -1.912  -2.972  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.666  -1.924  -1.016  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.471  -3.237  -0.969  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.360  -0.848  -1.491  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.298  -0.478  -2.349  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.424  -0.770  -3.599  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.418   0.416  -1.885  0.00  0.00           C+0
HETATM   15  N   UNK     0      -4.347  -0.294  -1.006  0.00  0.00           N+0
HETATM   16  C   UNK     0      -5.720  -0.367  -1.336  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.032   0.229  -2.449  0.00  0.00           O+0
HETATM   18  C   UNK     0      -6.792  -0.989  -0.635  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.075  -0.932  -1.141  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.174  -1.487  -0.545  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.995  -2.167   0.670  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.747  -2.260   1.225  0.00  0.00           C+0
HETATM   23  N   UNK     0      -7.569  -2.943   2.448  0.00  0.00           N+0
HETATM   24  C   UNK     0      -8.615  -3.538   3.164  0.00  0.00           C+0
HETATM   25  O   UNK     0      -9.822  -3.598   2.920  0.00  0.00           O+0
HETATM   26  C   UNK     0      -6.657  -1.670   0.567  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.415  -1.771   1.130  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.872   1.659  -1.204  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.146   1.365   0.056  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.087   2.329  -2.136  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.761   2.444  -2.308  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.125   1.826  -3.209  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.049   3.326  -1.425  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.355   4.787  -1.691  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.807   5.038  -1.414  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.020   5.168  -3.108  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.429   3.220  -1.694  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.330   2.303  -1.240  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.805   1.333  -1.892  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.819   2.447   0.179  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.175   3.935   0.301  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.766   2.157   1.194  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.068   1.662   0.377  0.00  0.00           C+0
HETATM   44  O   UNK     0       5.092   2.186  -0.001  0.00  0.00           O+0
HETATM   45  C   UNK     0       4.146   0.315   0.986  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.780   0.213   2.307  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.173   0.633   2.525  0.00  0.00           C+0
HETATM   48  C   UNK     0       7.223  -0.080   1.709  0.00  0.00           C+0
HETATM   49  C   UNK     0       6.402   2.128   2.606  0.00  0.00           C+0
HETATM   50  N   UNK     0       4.575  -0.656  -0.003  0.00  0.00           N+0
HETATM   51  C   UNK     0       3.716  -1.536  -0.712  0.00  0.00           C+0
HETATM   52  O   UNK     0       3.983  -1.757  -1.951  0.00  0.00           O+0
HETATM   53  H   UNK     0       5.271  -3.386  -0.156  0.00  0.00           H+0
HETATM   54  H   UNK     0       5.474  -5.153  -0.234  0.00  0.00           H+0
HETATM   55  H   UNK     0       4.473  -4.414  -1.484  0.00  0.00           H+0
HETATM   56  H   UNK     0       3.792  -5.075   1.334  0.00  0.00           H+0
HETATM   57  H   UNK     0       2.753  -5.173  -0.099  0.00  0.00           H+0
HETATM   58  H   UNK     0       3.573  -2.811   1.680  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.274  -2.740   2.297  0.00  0.00           H+0
HETATM   60  H   UNK     0       1.884  -4.430   2.402  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.875  -3.984   0.982  0.00  0.00           H+0
HETATM   62  H   UNK     0       1.943  -1.427   0.390  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.363  -1.801   0.078  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.247  -3.200  -1.763  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.984  -3.375  -0.011  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.805  -4.103  -1.158  0.00  0.00           H+0
HETATM   67  H   UNK     0      -4.008   0.798  -2.734  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.008  -0.747  -0.136  0.00  0.00           H+0
HETATM   69  H   UNK     0      -8.229  -0.407  -2.085  0.00  0.00           H+0
HETATM   70  H   UNK     0     -10.146  -1.396  -1.008  0.00  0.00           H+0
HETATM   71  H   UNK     0      -9.908  -2.574   1.071  0.00  0.00           H+0
HETATM   72  H   UNK     0      -6.593  -3.027   2.873  0.00  0.00           H+0
HETATM   73  H   UNK     0      -8.351  -4.057   4.126  0.00  0.00           H+0
HETATM   74  H   UNK     0      -5.138  -2.206   1.965  0.00  0.00           H+0
HETATM   75  H   UNK     0      -3.798   2.245  -0.920  0.00  0.00           H+0
HETATM   76  H   UNK     0      -2.638   0.599   0.693  0.00  0.00           H+0
HETATM   77  H   UNK     0      -1.112   0.995  -0.096  0.00  0.00           H+0
HETATM   78  H   UNK     0      -2.074   2.264   0.704  0.00  0.00           H+0
HETATM   79  H   UNK     0      -0.135   3.157  -0.366  0.00  0.00           H+0
HETATM   80  H   UNK     0       0.242   5.455  -1.030  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.128   4.556  -0.463  0.00  0.00           H+0
HETATM   82  H   UNK     0      -1.927   6.128  -1.243  0.00  0.00           H+0
HETATM   83  H   UNK     0      -2.415   4.736  -2.288  0.00  0.00           H+0
HETATM   84  H   UNK     0      -0.301   4.390  -3.837  0.00  0.00           H+0
HETATM   85  H   UNK     0      -0.569   6.114  -3.330  0.00  0.00           H+0
HETATM   86  H   UNK     0       1.077   5.395  -3.162  0.00  0.00           H+0
HETATM   87  H   UNK     0       2.277   4.551   0.050  0.00  0.00           H+0
HETATM   88  H   UNK     0       3.949   4.213  -0.446  0.00  0.00           H+0
HETATM   89  H   UNK     0       3.583   4.177   1.289  0.00  0.00           H+0
HETATM   90  H   UNK     0       1.023   1.407   0.860  0.00  0.00           H+0
HETATM   91  H   UNK     0       1.272   3.113   1.538  0.00  0.00           H+0
HETATM   92  H   UNK     0       2.275   1.792   2.125  0.00  0.00           H+0
HETATM   93  H   UNK     0       3.041   0.058   1.197  0.00  0.00           H+0
HETATM   94  H   UNK     0       4.715  -0.871   2.616  0.00  0.00           H+0
HETATM   95  H   UNK     0       4.155   0.734   3.070  0.00  0.00           H+0
HETATM   96  H   UNK     0       6.405   0.282   3.593  0.00  0.00           H+0
HETATM   97  H   UNK     0       6.949  -1.149   1.675  0.00  0.00           H+0
HETATM   98  H   UNK     0       8.213  -0.082   2.268  0.00  0.00           H+0
HETATM   99  H   UNK     0       7.458   0.390   0.756  0.00  0.00           H+0
HETATM  100  H   UNK     0       7.107   2.474   1.810  0.00  0.00           H+0
HETATM  101  H   UNK     0       6.939   2.430   3.557  0.00  0.00           H+0
HETATM  102  H   UNK     0       5.462   2.714   2.651  0.00  0.00           H+0
HETATM  103  H   UNK     0       5.589  -0.709  -0.215  0.00  0.00           H+0
CONECT    1    2   53   54   55                                             
CONECT    2    1    3   56   57                                             
CONECT    3    2    4    5   58                                             
CONECT    4    3   59   60   61                                             
CONECT    5    3    6   51   62                                             
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   63                                             
CONECT   10    9   64   65   66                                             
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   28   67                                             
CONECT   15   14   16   68                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   26                                                  
CONECT   19   18   20   69                                                  
CONECT   20   19   21   70                                                  
CONECT   21   20   22   71                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   24   72                                                  
CONECT   24   23   25   73                                                  
CONECT   25   24                                                            
CONECT   26   22   27   18                                                  
CONECT   27   26   74                                                       
CONECT   28   14   29   30   75                                             
CONECT   29   28   76   77   78                                             
CONECT   30   28   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   37   79                                             
CONECT   34   33   35   36   80                                             
CONECT   35   34   81   82   83                                             
CONECT   36   34   84   85   86                                             
CONECT   37   33   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42   43                                             
CONECT   41   40   87   88   89                                             
CONECT   42   40   90   91   92                                             
CONECT   43   40   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   50   93                                             
CONECT   46   45   47   94   95                                             
CONECT   47   46   48   49   96                                             
CONECT   48   47   97   98   99                                             
CONECT   49   47  100  101  102                                             
CONECT   50   45   51  103                                                  
CONECT   51   50   52    5                                                  
CONECT   52   51                                                            
CONECT   53    1                                                            
CONECT   54    1                                                            
CONECT   55    1                                                            
CONECT   56    2                                                            
CONECT   57    2                                                            
CONECT   58    3                                                            
CONECT   59    4                                                            
CONECT   60    4                                                            
CONECT   61    4                                                            
CONECT   62    5                                                            
CONECT   63    9                                                            
CONECT   64   10                                                            
CONECT   65   10                                                            
CONECT   66   10                                                            
CONECT   67   14                                                            
CONECT   68   15                                                            
CONECT   69   19                                                            
CONECT   70   20                                                            
CONECT   71   21                                                            
CONECT   72   23                                                            
CONECT   73   24                                                            
CONECT   74   27                                                            
CONECT   75   28                                                            
CONECT   76   29                                                            
CONECT   77   29                                                            
CONECT   78   29                                                            
CONECT   79   33                                                            
CONECT   80   34                                                            
CONECT   81   35                                                            
CONECT   82   35                                                            
CONECT   83   35                                                            
CONECT   84   36                                                            
CONECT   85   36                                                            
CONECT   86   36                                                            
CONECT   87   41                                                            
CONECT   88   41                                                            
CONECT   89   41                                                            
CONECT   90   42                                                            
CONECT   91   42                                                            
CONECT   92   42                                                            
CONECT   93   45                                                            
CONECT   94   46                                                            
CONECT   95   46                                                            
CONECT   96   47                                                            
CONECT   97   48                                                            
CONECT   98   48                                                            
CONECT   99   48                                                            
CONECT  100   49                                                            
CONECT  101   49                                                            
CONECT  102   49                                                            
CONECT  103   50                                                            
MASTER        0    0    0    0    0    0    0    0  103    0  208    0
END

RDKit          3D

103104  0  0  0  0  0  0  0  0999 V2000
    4.7385   -4.3086   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809   -4.4996    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -3.2406    0.9157 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6155   -3.5971    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -2.2190   -0.1538 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6511   -2.7097   -1.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -2.1986   -1.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -1.9120   -2.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -1.9240   -1.0164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4707   -3.2375   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.8477   -1.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984   -0.4776   -2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -0.7695   -3.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4183    0.4158   -1.8850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3467   -0.2935   -1.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -0.3672   -1.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0321    0.2292   -2.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7922   -0.9890   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0753   -0.9318   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1744   -1.4867   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9955   -2.1669    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7475   -2.2599    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5687   -2.9433    2.4476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6150   -3.5383    3.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8216   -3.5978    2.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6569   -1.6701    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -1.7707    1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721    1.6589   -1.2036 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1456    1.3651    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    2.3286   -2.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    2.4436   -2.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.8263   -3.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487    3.3265   -1.4252 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3549    4.7871   -1.6909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8069    5.0383   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    5.1675   -3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    3.2200   -1.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    2.3025   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.3333   -1.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189    2.4471    0.1787 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1750    3.9347    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663    2.1570    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    1.6616    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924    2.1859   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    0.3153    0.9860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7803    0.2125    2.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725    0.6333    2.5248 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2230   -0.0796    1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4016    2.1279    2.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.6555   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164   -1.5363   -0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828   -1.7571   -1.9512 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2705   -3.3865   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740   -5.1531   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733   -4.4143   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -5.0747    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534   -5.1731   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0740    2.2635    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354    3.1573   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422    5.4551   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3007    4.3898   -3.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7149   -0.8713    2.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1546    0.7336    3.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    0.2824    3.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9488   -1.1488    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2132   -0.0822    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4580    0.3901    0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1073    2.4737    1.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4615    2.7137    2.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893   -0.7093   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
N-[(2S,5S,8S,13S,16R,17S)-5-(Butan-2-yl)-6-hydroxy-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,9,11,14,18-pentaoxo-13-(propan-2-yl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzene-1-carboximidate	Generator

Chemical Formula

C₃₆H₅₁N₃O₁₃

Average Mass

733.8120 Da

Monoisotopic Mass

733.34219 Da

IUPAC Name

N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-13-(propan-2-yl)-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-formamido-2-hydroxybenzamide

Traditional Name

N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-13-isopropyl-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-formamido-2-hydroxybenzamide

CAS Registry Number

Not Available

SMILES

CCC(C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC(=O)[C@@H](OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)C

InChI Identifier

InChI=1S/C36H51N3O13/c1-11-19(6)28-31(44)38-24(15-17(2)3)29(42)36(9,10)35(48)52-27(18(4)5)34(47)49-20(7)25(33(46)50-21(8)32(45)51-28)39-30(43)22-13-12-14-23(26(22)41)37-16-40/h12-14,16-21,24-25,27-28,41H,11,15H2,1-10H3,(H,37,40)(H,38,44)(H,39,43)/t19?,20-,21+,24+,25+,27+,28+/m1/s1

InChI Key

NBVBHNUFSYRTEN-OQFKUZRZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Kitasatospora sp.	NPAtlas	17608530

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.37	ALOGPS
logP	5.5	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.51	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	229.8 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	184.01 m³·mol⁻¹	ChemAxon
Polarizability	75.61 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA011055

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

23285254

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23634473

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Valyl-respirantin (NP0007143)

MOL for NP0007143 (Valyl-respirantin)

3D MOL for NP0007143 (Valyl-respirantin)

3D SDF for NP0007143 (Valyl-respirantin)

3D-SDF for NP0007143 (Valyl-respirantin)

PDB for NP0007143 (Valyl-respirantin)

3D PDB for NP0007143 (Valyl-respirantin)

SMILES for NP0007143 (Valyl-respirantin)

INCHI for NP0007143 (Valyl-respirantin)

Structure for NP0007143 (Valyl-respirantin)

3D Structure for NP0007143 (Valyl-respirantin)