tert-butyl N-[3-[[(1R,2R,4S,5S)-5-amino-2,4-dimethylcyclohexanecarbonyl]amino]-5-ethyl-2-phenylmethoxybenzoyl]-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]carbamate;2-(chloromethyl)oxirane

• 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-[3-[[(1R,2R,4S,5S)-5-amino-2,4-dimethylcyclohexanecarbonyl]amino]-5-ethyl-2-phenylmethoxybenzoyl]-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]carbamate;2-(chloromethyl)oxirane
• 化学式: C82H106ClN7O11
• 分子量: 1401.2
• InChiKey: MQDWJHRDGPFFTC-ZSXXEZBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.75
• 重原子数：
  101
• 可旋转键数：
  25
• 环数：
  10.0
• 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