Name: AM-A3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219201209
Cas No:
常用名:AM-A3
别名:AMA-3, AM-A-3
IUPAC:(2S,4R)-4-hydroxy-1-[(2S)-2-(5-{4-[2-({4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenyl}formamido)ethyl]phenoxy}pentanamido)-3,3-dimethylbutanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-4-hydroxy-1-[(2S)-2-(5-{4-[2-({4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenyl}formamido)ethyl]phenoxy}pentanamido)-3,3-dimethylbutanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:VXEYUCNJDJXFGM-NOWQUMTASA-N

分子式:C58H61N5O9S2
分子量:1036.27
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCOc1ccc(CCNC(=O)c2ccc(cc2)C(=O)c2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCOc1ccc(CCNC(=O)c2ccc(cc2)C(=O)c2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

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