Name: Pacidamycin 6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619170
Cas No:121838-92-4
常用名:Pacidamycin 6
别名:帕西达霉素 6
IUPAC:(2S)-2-({[(1S)-1-{[(1S,2S)-2-[(2S)-2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2E,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-(1H-indol-3-yl)propanoic acid
IUPAC:(2S)-2-({[(1S)-1-{[(1S,2S)-2-[(2S)-2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2E,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-(1H-indol-3-yl)propanoic acid
InChI key:InChIKey=SCRSEAIGJNBLQH-ZRUAMFEYSA-N

分子式:C40H48N10O12
分子量:860.882
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN)C(=O)N\C=C1/C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O
SMILES:C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN)C(=O)N\C=C1/C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O

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