tert-butyl N-[(1R,2R,4S,5S)-5-[[3-[[(1S,2S,4R,5R)-5-[(3-amino-5-ethyl-2-phenylmethoxyphenyl)carbamoyl]-2,4-dimethylcyclohexyl]carbamoyl]-5-ethyl-2-phenylmethoxyphenyl]carbamoyl]-2,4-dimethylcyclohexyl]-N-[3-[[(1R,2R,4S,5S)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]-5-ethyl-2-phenylmethoxybenzoyl]carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[(1R,2R,4S,5S)-5-[[3-[[(1S,2S,4R,5R)-5-[(3-amino-5-ethyl-2-phenylmethoxyphenyl)carbamoyl]-2,4-dimethylcyclohexyl]carbamoyl]-5-ethyl-2-phenylmethoxyphenyl]carbamoyl]-2,4-dimethylcyclohexyl]-N-[3-[[(1R,2R,4S,5S)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]-5-ethyl-2-phenylmethoxybenzoyl]carbamate
• 化学式: C₈₄H₁₀₉N₇O₁₂
• 分子量: 1408.8
• InChiKey: JZVOSNSCVAWVSI-SHTHCAGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  103
• 可旋转键数：
  27
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  255
• 氢给体数：
  6
• 氢受体数：
  13