6-[[3-[4-[[5-[(10,13-Dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-5-oxopentyl]carbamoyl]phenyl]-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

• 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: 6-[[3-[4-[[5-[(10,13-Dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-5-oxopentyl]carbamoyl]phenyl]-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 英文别名: 6-[[3-[4-[[5-[(10,13-dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-5-oxopentyl]carbamoyl]phenyl]-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 化学式: C₄₄H₅₄N₄O₉S
• 分子量: 815.0
• InChiKey: BTZVOHILTYXPMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  211
• 氢给体数：
  3
• 氢受体数：
  11