NP-MRD: Showing NP-Card for Noursamycin A (NP0019885)

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Record Information

Version

2.0

Created at

2021-01-06 05:24:35 UTC

Updated at

2021-07-15 17:32:10 UTC

NP-MRD ID

NP0019885

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Noursamycin A

Provided By

NPAtlas

Description

Noursamycin A is found in Streptomyces. Based on a literature review very few articles have been published on (2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107493D          

112115  0  0  0  0            999 V2000
   -4.4793    3.0789    2.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1330    1.7289    1.9721 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8037    1.0425    0.7042 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5051   -0.2819    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150    0.9612    0.3739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6020    0.3176    1.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550   -1.0460    1.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -1.3934    2.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -2.1759    0.8916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8189   -3.4458    1.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2462   -3.5453    1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1264   -3.4314    2.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104   -3.5372    1.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0195   -3.7610    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1606   -3.8817   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8077   -3.7737   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -2.4346    1.2786 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1884   -3.2790    0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991   -4.1869    1.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308   -3.2524   -0.7951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4333   -4.1514   -1.5599 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0823   -4.1283   -3.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779   -5.5878   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560   -3.8272   -1.0324 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -3.1743   -1.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -3.6997   -2.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980   -1.8359   -0.8684 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7493   -2.0449    0.5635 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2633   -0.9233    1.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -0.0627    2.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5305    0.8094    2.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    0.5345    2.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9871    1.1398    2.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0847    0.6620    1.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649   -0.3987    0.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505   -0.9981    0.0021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7237   -0.9830    0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6062   -0.5297    1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.8268   -1.3038 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    0.3523   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8677    0.2653   -0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475    1.7652   -0.9308 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8043    2.1011   -1.3987 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8283    1.8773   -0.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    3.4808   -1.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    3.8758   -2.9822 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    4.3495   -1.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    2.4261    0.2946 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    2.6445    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    2.5197    1.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    3.0183   -0.3622 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0208    4.5033   -0.6629 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9276    5.0944   -1.6616 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5641    6.5323   -1.9227 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7622    6.6582   -2.4418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7095    3.0262    0.1217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    2.2719   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7465    2.7319   -0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9359    3.6308    3.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119    2.9850    2.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6698    3.7692    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9259    1.0844    2.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2420    1.9270    2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2418    1.6522   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6042   -0.7558    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4948   -0.1643    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8911   -0.9226   -0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    0.2882   -0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    0.9406    2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -1.9267   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795   -4.2937    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4907   -3.7876    2.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7799   -3.2701    3.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1437   -3.4333    2.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1019   -3.8343    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5822   -4.0603   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1663   -3.8714   -1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722   -1.9230    2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141   -2.2490   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4832   -3.7553   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -4.2321   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001   -3.1980   -3.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -5.0114   -3.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -5.9666   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -6.2365   -1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154   -5.7892   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -4.8734   -0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900   -1.6821   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8435   -2.4207    1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5579   -2.8475    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0846    2.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3359    1.5735    3.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1207    1.9867    3.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0515    1.1551    1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474   -1.8180   -0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -1.1343   -2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    2.2446   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    1.4661   -2.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6475    1.5057   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    3.1586   -3.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    4.8733   -3.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985    2.7338    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    2.5366   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606    4.4707   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075    5.0106    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    4.5595   -2.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    4.9368   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259    6.9253   -2.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    7.1607   -1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    7.1547   -1.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    6.8079   -3.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    3.8331    0.8276 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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 27 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
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 57  5  1  0  0  0  0
 16 11  1  0  0  0  0
 38 29  1  0  0  0  0
 38 32  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  2 62  1  0  0  0  0
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  3 64  1  6  0  0  0
  4 65  1  0  0  0  0
  4 66  1  0  0  0  0
  4 67  1  0  0  0  0
  5 68  1  6  0  0  0
  6 69  1  0  0  0  0
  9 70  1  6  0  0  0
 10 71  1  0  0  0  0
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 31 92  1  0  0  0  0
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 37 95  1  0  0  0  0
 39 96  1  0  0  0  0
 42 97  1  6  0  0  0
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 46100  1  0  0  0  0
 46101  1  0  0  0  0
 48102  1  0  0  0  0
 51103  1  6  0  0  0
 52104  1  0  0  0  0
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 53106  1  0  0  0  0
 53107  1  0  0  0  0
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 54109  1  0  0  0  0
 55110  1  0  0  0  0
 55111  1  0  0  0  0
 56112  1  0  0  0  0
M  END

     RDKit          3D

112115  0  0  0  0  0  0  0  0999 V2000
   -4.4793    3.0789    2.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1330    1.7289    1.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8037    1.0425    0.7042 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5051   -0.2819    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150    0.9612    0.3739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6020    0.3176    1.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550   -1.0460    1.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -1.3934    2.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -2.1759    0.8916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8189   -3.4458    1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2462   -3.5453    1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1264   -3.4314    2.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104   -3.5372    1.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0195   -3.7610    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1606   -3.8817   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8077   -3.7737   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -2.4346    1.2786 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1884   -3.2790    0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991   -4.1869    1.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308   -3.2524   -0.7951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4333   -4.1514   -1.5599 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0823   -4.1283   -3.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779   -5.5878   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560   -3.8272   -1.0324 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -3.1743   -1.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -3.6997   -2.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980   -1.8359   -0.8684 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042107493D          

112115  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0019885

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]([H])(C(=O)N([H])[H])[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C(Cl)C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C40H54ClN9O8/c1-5-21(4)31-39(57)45-27(12-9-15-42)35(53)50-32(33(51)34(43)52)40(58)47-29(17-23-19-44-26-14-13-24(41)18-25(23)26)37(55)48-30(20(2)3)38(56)46-28(36(54)49-31)16-22-10-7-6-8-11-22/h6-8,10-11,13-14,18-21,27-33,44,51H,5,9,12,15-17,42H2,1-4H3,(H2,43,52)(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,49,54)(H,50,53)/t21-,27-,28-,29-,30-,31-,32-,33-/m0/s1

> <INCHI_KEY>
AUAKLAUQIRQCCF-OMVKYWSTSA-N

> <FORMULA>
C40H54ClN9O8

> <MOLECULAR_WEIGHT>
824.38

> <EXACT_MASS>
823.3783874

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
85.6168669275373

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexaoxo-8-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]-2-hydroxyacetamide

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
-0.08885604553343807

> <ALOGPS_LOGS>
-4.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.66354732341931

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.267918793287626

> <JCHEM_PKA_STRONGEST_BASIC>
9.488273625198167

> <JCHEM_POLAR_SURFACE_AREA>
279.72999999999996

> <JCHEM_REFRACTIVITY>
213.41290000000012

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.36e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-8-isopropyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]-2-hydroxyacetamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

112115  0  0  0  0  0  0  0  0999 V2000
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    2.9257    3.8758   -2.9822 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0280    2.4261    0.2946 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    2.6445    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    2.5197    1.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0208    4.5033   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    5.0944   -1.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4033   -5.9666   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4900   -1.6821   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8435   -2.4207    1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1207    1.9867    3.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0515    1.1551    1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474   -1.8180   -0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -1.1343   -2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    2.2446   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    1.4661   -2.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6475    1.5057   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    3.1586   -3.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    4.8733   -3.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985    2.7338    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    2.5366   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606    4.4707   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075    5.0106    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    4.5595   -2.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    4.9368   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259    6.9253   -2.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    7.1607   -1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8467    6.8079   -3.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    3.8331    0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0      -4.479   3.079   2.135  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.133   1.729   1.972  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.804   1.042   0.704  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.505  -0.282   0.628  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.315   0.961   0.374  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.602   0.318   1.378  0.00  0.00           N+0
HETATM    7  C   UNK     0      -2.555  -1.046   1.727  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.945  -1.393   2.917  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.099  -2.176   0.892  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.819  -3.446   1.224  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.246  -3.545   1.081  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.126  -3.431   2.119  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.510  -3.537   1.935  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.019  -3.761   0.695  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.161  -3.882  -0.375  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.808  -3.774  -0.169  0.00  0.00           C+0
HETATM   17  N   UNK     0      -0.701  -2.435   1.279  0.00  0.00           N+0
HETATM   18  C   UNK     0       0.188  -3.279   0.637  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.799  -4.187   1.324  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.531  -3.252  -0.795  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.433  -4.151  -1.560  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.082  -4.128  -3.054  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.378  -5.588  -1.118  0.00  0.00           C+0
HETATM   24  N   UNK     0       1.856  -3.827  -1.032  0.00  0.00           N+0
HETATM   25  C   UNK     0       3.006  -3.174  -1.470  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.677  -3.700  -2.401  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.498  -1.836  -0.868  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.749  -2.045   0.564  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.263  -0.923   1.352  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.648  -0.063   2.234  0.00  0.00           C+0
HETATM   31  N   UNK     0       4.531   0.809   2.752  0.00  0.00           N+0
HETATM   32  C   UNK     0       5.748   0.535   2.214  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.987   1.140   2.414  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.085   0.662   1.732  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.965  -0.399   0.863  0.00  0.00           C+0
HETATM   36 Cl   UNK     0       9.351  -0.998   0.002  0.00  0.00          Cl+0
HETATM   37  C   UNK     0       6.724  -0.983   0.682  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.606  -0.530   1.349  0.00  0.00           C+0
HETATM   39  N   UNK     0       2.581  -0.827  -1.304  0.00  0.00           N+0
HETATM   40  C   UNK     0       2.035   0.352  -0.879  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.868   0.265  -0.284  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.447   1.765  -0.931  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.804   2.101  -1.399  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.828   1.877  -0.528  0.00  0.00           O+0
HETATM   45  C   UNK     0       3.818   3.481  -1.964  0.00  0.00           C+0
HETATM   46  N   UNK     0       2.926   3.876  -2.982  0.00  0.00           N+0
HETATM   47  O   UNK     0       4.646   4.349  -1.540  0.00  0.00           O+0
HETATM   48  N   UNK     0       2.028   2.426   0.295  0.00  0.00           N+0
HETATM   49  C   UNK     0       0.670   2.644   0.625  0.00  0.00           C+0
HETATM   50  O   UNK     0       0.313   2.520   1.804  0.00  0.00           O+0
HETATM   51  C   UNK     0      -0.368   3.018  -0.362  0.00  0.00           C+0
HETATM   52  C   UNK     0       0.021   4.503  -0.663  0.00  0.00           C+0
HETATM   53  C   UNK     0      -0.928   5.094  -1.662  0.00  0.00           C+0
HETATM   54  C   UNK     0      -0.564   6.532  -1.923  0.00  0.00           C+0
HETATM   55  N   UNK     0       0.762   6.658  -2.442  0.00  0.00           N+0
HETATM   56  N   UNK     0      -1.710   3.026   0.122  0.00  0.00           N+0
HETATM   57  C   UNK     0      -2.842   2.272  -0.128  0.00  0.00           C+0
HETATM   58  O   UNK     0      -3.747   2.732  -0.969  0.00  0.00           O+0
HETATM   59  H   UNK     0      -4.936   3.631   3.023  0.00  0.00           H+0
HETATM   60  H   UNK     0      -3.412   2.985   2.427  0.00  0.00           H+0
HETATM   61  H   UNK     0      -4.670   3.769   1.294  0.00  0.00           H+0
HETATM   62  H   UNK     0      -4.926   1.084   2.882  0.00  0.00           H+0
HETATM   63  H   UNK     0      -6.242   1.927   2.079  0.00  0.00           H+0
HETATM   64  H   UNK     0      -5.242   1.652  -0.157  0.00  0.00           H+0
HETATM   65  H   UNK     0      -5.604  -0.756   1.628  0.00  0.00           H+0
HETATM   66  H   UNK     0      -6.495  -0.164   0.131  0.00  0.00           H+0
HETATM   67  H   UNK     0      -4.891  -0.923  -0.034  0.00  0.00           H+0
HETATM   68  H   UNK     0      -3.257   0.288  -0.554  0.00  0.00           H+0
HETATM   69  H   UNK     0      -1.982   0.941   2.009  0.00  0.00           H+0
HETATM   70  H   UNK     0      -2.152  -1.927  -0.194  0.00  0.00           H+0
HETATM   71  H   UNK     0      -2.380  -4.294   0.588  0.00  0.00           H+0
HETATM   72  H   UNK     0      -2.491  -3.788   2.264  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.780  -3.270   3.122  0.00  0.00           H+0
HETATM   74  H   UNK     0      -7.144  -3.433   2.811  0.00  0.00           H+0
HETATM   75  H   UNK     0      -8.102  -3.834   0.611  0.00  0.00           H+0
HETATM   76  H   UNK     0      -6.582  -4.060  -1.353  0.00  0.00           H+0
HETATM   77  H   UNK     0      -4.166  -3.871  -1.012  0.00  0.00           H+0
HETATM   78  H   UNK     0      -0.372  -1.923   2.142  0.00  0.00           H+0
HETATM   79  H   UNK     0       0.414  -2.249  -1.255  0.00  0.00           H+0
HETATM   80  H   UNK     0      -1.483  -3.755  -1.531  0.00  0.00           H+0
HETATM   81  H   UNK     0       1.035  -4.232  -3.164  0.00  0.00           H+0
HETATM   82  H   UNK     0      -0.400  -3.198  -3.528  0.00  0.00           H+0
HETATM   83  H   UNK     0      -0.521  -5.011  -3.561  0.00  0.00           H+0
HETATM   84  H   UNK     0      -1.403  -5.967  -0.898  0.00  0.00           H+0
HETATM   85  H   UNK     0       0.020  -6.237  -1.938  0.00  0.00           H+0
HETATM   86  H   UNK     0       0.215  -5.789  -0.230  0.00  0.00           H+0
HETATM   87  H   UNK     0       1.915  -4.873  -0.840  0.00  0.00           H+0
HETATM   88  H   UNK     0       4.490  -1.682  -1.367  0.00  0.00           H+0
HETATM   89  H   UNK     0       2.844  -2.421   1.092  0.00  0.00           H+0
HETATM   90  H   UNK     0       4.558  -2.848   0.647  0.00  0.00           H+0
HETATM   91  H   UNK     0       2.592  -0.085   2.481  0.00  0.00           H+0
HETATM   92  H   UNK     0       4.336   1.573   3.449  0.00  0.00           H+0
HETATM   93  H   UNK     0       7.121   1.987   3.097  0.00  0.00           H+0
HETATM   94  H   UNK     0       9.052   1.155   1.903  0.00  0.00           H+0
HETATM   95  H   UNK     0       6.647  -1.818  -0.007  0.00  0.00           H+0
HETATM   96  H   UNK     0       2.197  -1.134  -2.305  0.00  0.00           H+0
HETATM   97  H   UNK     0       1.779   2.245  -1.764  0.00  0.00           H+0
HETATM   98  H   UNK     0       4.096   1.466  -2.310  0.00  0.00           H+0
HETATM   99  H   UNK     0       5.648   1.506  -0.899  0.00  0.00           H+0
HETATM  100  H   UNK     0       2.449   3.159  -3.549  0.00  0.00           H+0
HETATM  101  H   UNK     0       2.749   4.873  -3.165  0.00  0.00           H+0
HETATM  102  H   UNK     0       2.799   2.734   0.925  0.00  0.00           H+0
HETATM  103  H   UNK     0      -0.197   2.537  -1.345  0.00  0.00           H+0
HETATM  104  H   UNK     0       1.061   4.471  -1.012  0.00  0.00           H+0
HETATM  105  H   UNK     0      -0.008   5.011   0.318  0.00  0.00           H+0
HETATM  106  H   UNK     0      -0.738   4.559  -2.640  0.00  0.00           H+0
HETATM  107  H   UNK     0      -1.977   4.937  -1.434  0.00  0.00           H+0
HETATM  108  H   UNK     0      -1.326   6.925  -2.638  0.00  0.00           H+0
HETATM  109  H   UNK     0      -0.610   7.161  -1.007  0.00  0.00           H+0
HETATM  110  H   UNK     0       1.438   7.155  -1.830  0.00  0.00           H+0
HETATM  111  H   UNK     0       0.847   6.808  -3.449  0.00  0.00           H+0
HETATM  112  H   UNK     0      -1.893   3.833   0.828  0.00  0.00           H+0
CONECT    1    2   59   60   61                                             
CONECT    2    1    3   62   63                                             
CONECT    3    2    4    5   64                                             
CONECT    4    3   65   66   67                                             
CONECT    5    3    6   57   68                                             
CONECT    6    5    7   69                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   17   70                                             
CONECT   10    9   11   71   72                                             
CONECT   11   10   12   16                                                  
CONECT   12   11   13   73                                                  
CONECT   13   12   14   74                                                  
CONECT   14   13   15   75                                                  
CONECT   15   14   16   76                                                  
CONECT   16   15   11   77                                                  
CONECT   17    9   18   78                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   24   79                                             
CONECT   21   20   22   23   80                                             
CONECT   22   21   81   82   83                                             
CONECT   23   21   84   85   86                                             
CONECT   24   20   25   87                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   39   88                                             
CONECT   28   27   29   89   90                                             
CONECT   29   28   30   38                                                  
CONECT   30   29   31   91                                                  
CONECT   31   30   32   92                                                  
CONECT   32   31   33   38                                                  
CONECT   33   32   34   93                                                  
CONECT   34   33   35   94                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   95                                                  
CONECT   38   37   29   32                                                  
CONECT   39   27   40   96                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   48   97                                             
CONECT   43   42   44   45   98                                             
CONECT   44   43   99                                                       
CONECT   45   43   46   47                                                  
CONECT   46   45  100  101                                                  
CONECT   47   45                                                            
CONECT   48   42   49  102                                                  
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   56  103                                             
CONECT   52   51   53  104  105                                             
CONECT   53   52   54  106  107                                             
CONECT   54   53   55  108  109                                             
CONECT   55   54  110  111                                                  
CONECT   56   51   57  112                                                  
CONECT   57   56   58    5                                                  
CONECT   58   57                                                            
CONECT   59    1                                                            
CONECT   60    1                                                            
CONECT   61    1                                                            
CONECT   62    2                                                            
CONECT   63    2                                                            
CONECT   64    3                                                            
CONECT   65    4                                                            
CONECT   66    4                                                            
CONECT   67    4                                                            
CONECT   68    5                                                            
CONECT   69    6                                                            
CONECT   70    9                                                            
CONECT   71   10                                                            
CONECT   72   10                                                            
CONECT   73   12                                                            
CONECT   74   13                                                            
CONECT   75   14                                                            
CONECT   76   15                                                            
CONECT   77   16                                                            
CONECT   78   17                                                            
CONECT   79   20                                                            
CONECT   80   21                                                            
CONECT   81   22                                                            
CONECT   82   22                                                            
CONECT   83   22                                                            
CONECT   84   23                                                            
CONECT   85   23                                                            
CONECT   86   23                                                            
CONECT   87   24                                                            
CONECT   88   27                                                            
CONECT   89   28                                                            
CONECT   90   28                                                            
CONECT   91   30                                                            
CONECT   92   31                                                            
CONECT   93   33                                                            
CONECT   94   34                                                            
CONECT   95   37                                                            
CONECT   96   39                                                            
CONECT   97   42                                                            
CONECT   98   43                                                            
CONECT   99   44                                                            
CONECT  100   46                                                            
CONECT  101   46                                                            
CONECT  102   48                                                            
CONECT  103   51                                                            
CONECT  104   52                                                            
CONECT  105   52                                                            
CONECT  106   53                                                            
CONECT  107   53                                                            
CONECT  108   54                                                            
CONECT  109   54                                                            
CONECT  110   55                                                            
CONECT  111   55                                                            
CONECT  112   56                                                            
MASTER        0    0    0    0    0    0    0    0  112    0  230    0
END

RDKit          3D

112115  0  0  0  0  0  0  0  0999 V2000
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-Aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidate	Generator

Chemical Formula

C₄₀H₅₄ClN₉O₈

Average Mass

824.3800 Da

Monoisotopic Mass

823.37839 Da

IUPAC Name

(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexaoxo-8-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]-2-hydroxyacetamide

Traditional Name

(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-8-isopropyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]-2-hydroxyacetamide

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=C2C=C(Cl)C=C3)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC1=O)[C@H](O)C(N)=O)C(C)C

InChI Identifier

InChI=1S/C40H54ClN9O8/c1-5-21(4)31-39(57)45-27(12-9-15-42)35(53)50-32(33(51)34(43)52)40(58)47-29(17-23-19-44-26-14-13-24(41)18-25(23)26)37(55)48-30(20(2)3)38(56)46-28(36(54)49-31)16-22-10-7-6-8-11-22/h6-8,10-11,13-14,18-21,27-33,44,51H,5,9,12,15-17,42H2,1-4H3,(H2,43,52)(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,49,54)(H,50,53)/t21-,27-,28-,29-,30-,31-,32-,33-/m0/s1

InChI Key

AUAKLAUQIRQCCF-OMVKYWSTSA-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
Streptomyces	NPAtlas	31181917

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	1.54	ALOGPS
logP	-0.089	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	10.27	ChemAxon
pKa (Strongest Basic)	9.49	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	279.73 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	213.41 m³·mol⁻¹	ChemAxon
Polarizability	85.62 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA025203

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

145720972

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Noursamycin A (NP0019885)

MOL for NP0019885 (Noursamycin A)

3D MOL for NP0019885 (Noursamycin A)

3D SDF for NP0019885 (Noursamycin A)

3D-SDF for NP0019885 (Noursamycin A)

PDB for NP0019885 (Noursamycin A)

3D PDB for NP0019885 (Noursamycin A)

SMILES for NP0019885 (Noursamycin A)

INCHI for NP0019885 (Noursamycin A)

Structure for NP0019885 (Noursamycin A)

3D Structure for NP0019885 (Noursamycin A)