Name: Quinupristin
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212686662
Cas No:120138-50-3
常用名:Quinupristin
别名:奎奴普丁
IUPAC:N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
IUPAC:N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
InChI key:WTHRRGMBUAHGNI-LCYNINFDSA-N

分子式:C53H67N9O10S
分子量:1022.23
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:2.1781592
SMILES:[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@]([H])(Cc1ccc(cc1)N(C)C)N(C)C2=O)c1ccccc1
SMILES:[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@]([H])(Cc1ccc(cc1)N(C)C)N(C)C2=O)c1ccccc1

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