HIT ID: HIT212693194
Cas No: 934740-33-7
分子式: C33H42N4O6
分子量: 590.721
常用名: Nifeviroc
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 4.2735085
IUPAC: (4-nitrophenyl)methyl N-(1-{[(3S,4R)-1-cyclopentanecarbonyl-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)-N-(prop-2-en-1-yl)carbamate
IUPAC: (4-nitrophenyl)methyl N-(1-{[(3S,4R)-1-cyclopentanecarbonyl-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)-N-(prop-2-en-1-yl)carbamate
SMILES: O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1
SMILES: O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1
InChI key: JNSKQYZFEVKYDB-UVMMSNCQSA-N
