tert-butyl 2-[[5-[1-[3-[(2-tert-butoxy-2-oxo-ethyl)carbamoyl]-5-chloro-4-hydroxy-phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxy-benzoyl]amino]acetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: tert-butyl 2-[[5-[1-[3-[(2-tert-butoxy-2-oxo-ethyl)carbamoyl]-5-chloro-4-hydroxy-phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxy-benzoyl]amino]acetate
• 英文别名: tert-butyl 2-[[3-chloro-5-[1-[3-chloro-4-hydroxy-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoyl]amino]acetate
• 化学式: C₅₇H₈₂Cl₂N₂O₈
• 分子量: 994.2
• InChiKey: LQLPFWPUOBOHLB-DERVNDCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  69
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  8