NP-MRD: Showing NP-Card for Amphistin (NP0023559)

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Record Information

Version

1.0

Created at

2021-01-06 08:37:36 UTC

Updated at

2021-07-15 17:42:05 UTC

NP-MRD ID

NP0023559

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Amphistin

Provided By

NPAtlas

Description

2-Amino-4-[(1-carboxy-2-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}ethyl)amino]butanoic acid belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Amphistin is found in Actinomyces sp. and Actinomycete strain KP-3052. It was first documented in 1997 (PMID: 9402984). Based on a literature review very few articles have been published on 2-amino-4-[(1-carboxy-2-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}ethyl)amino]butanoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242120423D          

 45 45  0  0  0  0            999 V2000
    5.0382    0.6121   -1.8023 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.6127    0.8472   -0.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7604   -0.3209    0.0916 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5303   -0.5506   -0.7360 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6692   -1.5505   -0.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -1.5894    0.6115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875   -0.6106    0.1995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4727   -0.6576    1.2285 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6897    0.0415    0.9141 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4001   -0.5760   -0.2508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6426    0.1483   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1161    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405    0.7803   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0765    1.5452   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.1514   -1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.5099    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    2.0696    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.3518    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -1.3130    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -0.4073    2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -2.1165    2.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    0.8658    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    1.0751    1.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    0.6459   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.3435   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684   -0.3496   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    1.7645   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.1272    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -1.2262   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.8325   -1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4406   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -2.2548   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.5873    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.0111   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.3929    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.5732    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -0.1400    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.6310    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.7042   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031   -0.8648    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424    2.3417   -2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    1.5694   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    3.2991    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -2.9599    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    1.2742   -0.7599 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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  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
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 15 11  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  6  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  1  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  1  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 21 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

     RDKit          3D

 45 45  0  0  0  0  0  0  0  0999 V2000
    5.0382    0.6121   -1.8023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    0.8472   -0.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7604   -0.3209    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -0.5506   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.5505   -0.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -1.5894    0.6115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875   -0.6106    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -0.6576    1.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    0.0415    0.9141 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4001   -0.5760   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6426    0.1483   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1161    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405    0.7803   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0765    1.5452   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.1514   -1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.5099    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    2.0696    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.3518    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -1.3130    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -0.4073    2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -2.1165    2.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    0.8658    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    1.0751    1.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    0.6459   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.3435   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684   -0.3496   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    1.7645   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.1272    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -1.2262   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.8325   -1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4406   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -2.2548   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.5873    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.0111   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.3929    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.5732    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -0.1400    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.6310    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.7042   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031   -0.8648    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424    2.3417   -2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    1.5694   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    3.2991    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -2.9599    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    1.2742   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  9 16  1  0
 16 17  2  0
 16 18  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
 15 11  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  1
  7 34  1  0
  7 35  1  0
  8 36  1  0
  9 37  1  1
 10 38  1  0
 10 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
 24 45  1  0
M  END


  Mrv1652306242120423D          

 45 45  0  0  0  0            999 V2000
    5.0382    0.6121   -1.8023 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.6127    0.8472   -0.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7604   -0.3209    0.0916 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5303   -0.5506   -0.7360 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6692   -1.5505   -0.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -1.5894    0.6115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875   -0.6106    0.1995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4727   -0.6576    1.2285 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6897    0.0415    0.9141 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4001   -0.5760   -0.2508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6426    0.1483   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1161    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405    0.7803   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0765    1.5452   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.1514   -1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.5099    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    2.0696    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.3518    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -1.3130    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -0.4073    2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -2.1165    2.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    0.8658    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    1.0751    1.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    0.6459   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.3435   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684   -0.3496   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    1.7645   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.1272    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -1.2262   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.8325   -1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4406   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -2.2548   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.5873    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.0111   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.3929    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.5732    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -0.1400    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.6310    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.7042   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031   -0.8648    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424    2.3417   -2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    1.5694   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    3.2991    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -2.9599    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    1.2742   -0.7599 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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  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
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 15 11  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  6  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  1  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  1  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 21 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0023559

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])N([H])[C@@]([H])(C(=O)O[H])C([H])([H])N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C1=C([H])N=C([H])N1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C13H21N5O6/c14-8(11(19)20)1-2-16-10(13(23)24)5-17-9(12(21)22)3-7-4-15-6-18-7/h4,6,8-10,16-17H,1-3,5,14H2,(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t8-,9+,10+/m0/s1

> <INCHI_KEY>
ITQGHQZINPLSLB-UHFFFAOYSA-N

> <FORMULA>
C13H21N5O6

> <MOLECULAR_WEIGHT>
343.34

> <EXACT_MASS>
343.149183416

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.251883272248705

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(1R)-1-carboxy-2-{[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}ethyl]amino}butanoic acid

> <ALOGPS_LOGP>
-3.03

> <JCHEM_LOGP>
-10.266928702336722

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
1.5161061489031638

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.7284161822732811

> <JCHEM_PKA_STRONGEST_BASIC>
9.937594413156516

> <JCHEM_POLAR_SURFACE_AREA>
190.65999999999997

> <JCHEM_REFRACTIVITY>
80.03299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-4-{[(1R)-1-carboxy-2-{[(1R)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}ethyl]amino}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 45 45  0  0  0  0  0  0  0  0999 V2000
    5.0382    0.6121   -1.8023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    0.8472   -0.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7604   -0.3209    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -0.5506   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.5505   -0.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -1.5894    0.6115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875   -0.6106    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -0.6576    1.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    0.0415    0.9141 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4001   -0.5760   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6426    0.1483   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1161    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405    0.7803   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0765    1.5452   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.1514   -1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.5099    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    2.0696    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.3518    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -1.3130    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -0.4073    2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -2.1165    2.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    0.8658    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    1.0751    1.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    0.6459   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.3435   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684   -0.3496   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    1.7645   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.1272    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -1.2262   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.8325   -1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4406   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -2.2548   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.5873    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.0111   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.3929    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.5732    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -0.1400    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.6310    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.7042   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031   -0.8648    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424    2.3417   -2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    1.5694   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    3.2991    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -2.9599    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    1.2742   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  9 16  1  0
 16 17  2  0
 16 18  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
 15 11  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  1
  7 34  1  0
  7 35  1  0
  8 36  1  0
  9 37  1  1
 10 38  1  0
 10 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
 24 45  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  N   UNK     0       5.038   0.612  -1.802  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.613   0.847  -0.453  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.760  -0.321   0.092  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.530  -0.551  -0.736  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.669  -1.551  -0.354  0.00  0.00           N+0
HETATM    6  C   UNK     0       0.702  -1.589   0.612  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.488  -0.611   0.200  0.00  0.00           C+0
HETATM    8  N   UNK     0      -1.473  -0.658   1.228  0.00  0.00           N+0
HETATM    9  C   UNK     0      -2.690   0.042   0.914  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.400  -0.576  -0.251  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.643   0.148  -0.538  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.888  -0.116   0.039  0.00  0.00           C+0
HETATM   13  N   UNK     0      -6.740   0.780  -0.549  0.00  0.00           N+0
HETATM   14  C   UNK     0      -6.077   1.545  -1.425  0.00  0.00           C+0
HETATM   15  N   UNK     0      -4.827   1.151  -1.403  0.00  0.00           N+0
HETATM   16  C   UNK     0      -2.529   1.510   0.826  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.385   2.070   0.984  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.573   2.352   0.577  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.883  -1.313   2.010  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.573  -0.407   2.489  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.245  -2.116   2.988  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.832   0.866   0.420  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.754   1.075   1.650  0.00  0.00           O+0
HETATM   24  O   UNK     0       7.077   0.646  -0.139  0.00  0.00           O+0
HETATM   25  H   UNK     0       4.646   1.343  -2.457  0.00  0.00           H+0
HETATM   26  H   UNK     0       4.868  -0.350  -2.120  0.00  0.00           H+0
HETATM   27  H   UNK     0       4.029   1.765  -0.340  0.00  0.00           H+0
HETATM   28  H   UNK     0       3.637  -0.127   1.140  0.00  0.00           H+0
HETATM   29  H   UNK     0       4.419  -1.226  -0.109  0.00  0.00           H+0
HETATM   30  H   UNK     0       2.950  -0.833  -1.764  0.00  0.00           H+0
HETATM   31  H   UNK     0       2.035   0.441  -0.984  0.00  0.00           H+0
HETATM   32  H   UNK     0       1.446  -2.255  -1.129  0.00  0.00           H+0
HETATM   33  H   UNK     0       0.133  -2.587   0.494  0.00  0.00           H+0
HETATM   34  H   UNK     0      -0.853  -1.011  -0.740  0.00  0.00           H+0
HETATM   35  H   UNK     0      -0.030   0.393   0.111  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.641  -1.573   1.654  0.00  0.00           H+0
HETATM   37  H   UNK     0      -3.368  -0.140   1.813  0.00  0.00           H+0
HETATM   38  H   UNK     0      -3.655  -1.631   0.062  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.766  -0.704  -1.159  0.00  0.00           H+0
HETATM   40  H   UNK     0      -6.103  -0.865   0.783  0.00  0.00           H+0
HETATM   41  H   UNK     0      -6.542   2.342  -2.029  0.00  0.00           H+0
HETATM   42  H   UNK     0      -4.044   1.569  -1.995  0.00  0.00           H+0
HETATM   43  H   UNK     0      -3.440   3.299   0.192  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.756  -2.960   3.299  0.00  0.00           H+0
HETATM   45  H   UNK     0       7.556   1.274  -0.760  0.00  0.00           H+0
CONECT    1    2   25   26                                                  
CONECT    2    1    3   22   27                                             
CONECT    3    2    4   28   29                                             
CONECT    4    3    5   30   31                                             
CONECT    5    4    6   32                                                  
CONECT    6    5    7   19   33                                             
CONECT    7    6    8   34   35                                             
CONECT    8    7    9   36                                                  
CONECT    9    8   10   16   37                                             
CONECT   10    9   11   38   39                                             
CONECT   11   10   12   15                                                  
CONECT   12   11   13   40                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   41                                                  
CONECT   15   14   11   42                                                  
CONECT   16    9   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   43                                                       
CONECT   19    6   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   44                                                       
CONECT   22    2   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   45                                                       
CONECT   25    1                                                            
CONECT   26    1                                                            
CONECT   27    2                                                            
CONECT   28    3                                                            
CONECT   29    3                                                            
CONECT   30    4                                                            
CONECT   31    4                                                            
CONECT   32    5                                                            
CONECT   33    6                                                            
CONECT   34    7                                                            
CONECT   35    7                                                            
CONECT   36    8                                                            
CONECT   37    9                                                            
CONECT   38   10                                                            
CONECT   39   10                                                            
CONECT   40   12                                                            
CONECT   41   14                                                            
CONECT   42   15                                                            
CONECT   43   18                                                            
CONECT   44   21                                                            
CONECT   45   24                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   90    0
END

RDKit          3D

45 45  0  0  0  0  0  0  0  0999 V2000
    5.0382    0.6121   -1.8023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    0.8472   -0.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7604   -0.3209    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -0.5506   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.5505   -0.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -1.5894    0.6115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875   -0.6106    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -0.6576    1.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    0.0415    0.9141 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4001   -0.5760   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6426    0.1483   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1161    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405    0.7803   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0765    1.5452   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8275    1.1514   -1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.5099    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    2.0696    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.3518    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -1.3130    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -0.4073    2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -2.1165    2.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    0.8658    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    1.0751    1.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    0.6459   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.3435   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684   -0.3496   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    1.7645   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.1272    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -1.2262   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.8325   -1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4406   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -2.2548   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.5873    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.0111   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.3929    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.5732    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -0.1400    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.6310    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.7042   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031   -0.8648    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424    2.3417   -2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    1.5694   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    3.2991    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -2.9599    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    1.2742   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  9 16  1  0
 16 17  2  0
 16 18  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
 15 11  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  1
  7 34  1  0
  7 35  1  0
  8 36  1  0
  9 37  1  1
 10 38  1  0
 10 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
 24 45  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
2-Amino-4-[(1-carboxy-2-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}ethyl)amino]butanoate	Generator

Chemical Formula

C₁₃H₂₁N₅O₆

Average Mass

343.3400 Da

Monoisotopic Mass

343.14918 Da

IUPAC Name

(2S)-2-amino-4-{[(1R)-1-carboxy-2-{[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}ethyl]amino}butanoic acid

Traditional Name

(2S)-2-amino-4-{[(1R)-1-carboxy-2-{[(1R)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}ethyl]amino}butanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCNC(CNC(CC1=CN=CN1)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C13H21N5O6/c14-8(11(19)20)1-2-16-10(13(23)24)5-17-9(12(21)22)3-7-4-15-6-18-7/h4,6,8-10,16-17H,1-3,5,14H2,(H,15,18)(H,19,20)(H,21,22)(H,23,24)

InChI Key

ITQGHQZINPLSLB-UHFFFAOYSA-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
Actinomyces sp.	NPAtlas	9402984
Actinomycete strain KP-3052	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Histidine and derivatives

Alternative Parents

Substituents

Histidine or derivatives
Alpha-amino acid
Tricarboxylic acid or derivatives
Imidazolyl carboxylic acid derivative
Amino fatty acid
Aralkylamine
Fatty acyl
Azole
Imidazole
Heteroaromatic compound
Amino acid
Carboxylic acid
Secondary aliphatic amine
Azacycle
Secondary amine
Organoheterocyclic compound
Primary aliphatic amine
Organic oxygen compound
Hydrocarbon derivative
Amine
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

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	-3	ALOGPS
logP	-10	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	0.73	ChemAxon
pKa (Strongest Basic)	9.94	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	190.66 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	80.03 m³·mol⁻¹	ChemAxon
Polarizability	33.25 Å³	ChemAxon
Number of Rings	1	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

NPA015131

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8264336

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10088799

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Arai N, Shiomi K, Takamatsu S, Komiyama K, Shinose M, Takahashi Y, Tanaka Y, Iwai Y, Liu JR, Omura S: Amphistin, a new melanogenesis inhibitor, produced by an actinomycete. J Antibiot (Tokyo). 1997 Oct;50(10):808-14. doi: 10.7164/antibiotics.50.808. [PubMed:9402984 ]

Showing NP-Card for Amphistin (NP0023559)

MOL for NP0023559 (Amphistin)

3D MOL for NP0023559 (Amphistin)

3D SDF for NP0023559 (Amphistin)

3D-SDF for NP0023559 (Amphistin)

PDB for NP0023559 (Amphistin)

3D PDB for NP0023559 (Amphistin)

SMILES for NP0023559 (Amphistin)

INCHI for NP0023559 (Amphistin)

Structure for NP0023559 (Amphistin)

3D Structure for NP0023559 (Amphistin)