Name: Pacidamycin 3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600117
Cas No:121280-49-7
常用名:Pacidamycin 3
IUPAC:2-({[(1S)-1-{[(1S,2S)-2-{2-[(2S)-2-aminopropanamido]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}amino)-3-(3-hydroxyphenyl)propanoic acid
IUPAC:2-({[(1S)-1-{[(1S,2S)-2-{2-[(2S)-2-aminopropanamido]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}amino)-3-(3-hydroxyphenyl)propanoic acid
InChI key:NMVHSWKLTKXTCN-UBFINDISSA-N

分子式:C39H49N9O13
分子量:851.871
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](N)C(=O)NC(Cc1cccc(O)c1)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)NC(Cc1cccc(O)c1)C(O)=O)C(=O)N\C=C1\C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O
SMILES:C[C@H](N)C(=O)NC(Cc1cccc(O)c1)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)NC(Cc1cccc(O)c1)C(O)=O)C(=O)N\C=C1\C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O

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