Ass 51
HIT214319053
sdf文件结构编辑类似物检索
HIT ID: HIT214319053
Cas No: 150747-52-7
分子式: C45H64N8O9S2
分子量: 925.17
常用名: Ass 51
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (10R,13S,16S,19R,22S)-16-(4-aminobutyl)-22-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-13-[(1R)-1-hydroxyethyl]-19-[(1H-indol-3-yl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carboxamide
IUPAC: (10R,13S,16S,19R,22S)-16-(4-aminobutyl)-22-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-13-[(1R)-1-hydroxyethyl]-19-[(1H-indol-3-yl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carboxamide
SMILES: [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](NC1=O)C(=O)NC(C)(CO)CO)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](NC1=O)C(=O)NC(C)(CO)CO)[C@@H](C)O
InChI key: NJVMKJXFXIAJHE-ZJJKKTOASA-N
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