ADH-1
HIT212650591
sdf文件结构编辑类似物检索
HIT ID: HIT212650591
Cas No: 229971-81-7
分子式: C22H34N8O6S2
分子量: 570.68
常用名: ADH-1
氢键受体数 (HBA): 7
氢键供体数 (HBD): 7
LogP: -3.8116937
IUPAC: (4R,7S,10S,13S,16R)-16-acetamido-13-[(1H-imidazol-5-yl)methyl]-10-methyl-6,9,12,15-tetraoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide
IUPAC: (4R,7S,10S,13S,16R)-16-acetamido-13-[(1H-imidazol-5-yl)methyl]-10-methyl-6,9,12,15-tetraoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide
SMILES: CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(C)=O
SMILES: CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(C)=O
InChI key: FQVLRGLGWNWPSS-BXBUPLCLSA-N
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