[(1S,3R)-3-benzyl-1-[[(2S)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethyl)piperazin-1-yl]methyl]-4-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-oxo-butyl] 5-[[(5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbonylamino]pentanoate; 2,2,2-trifluoroacetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S,3R)-3-benzyl-1-[[(2S)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethyl)piperazin-1-yl]methyl]-4-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-oxo-butyl] 5-[[(5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbonylamino]pentanoate; 2,2,2-trifluoroacetic acid
• 英文别名: [(2S,4R)-4-benzyl-1-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentan-2-yl] 5-[[(5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbonylamino]pentanoate;2,2,2-trifluoroacetic acid
• 化学式: C58H76F6N6O16
• 分子量: 1227.2
• InChiKey: HEVDYXZZYIZMEJ-RINRKZEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  86
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  283
• 氢给体数：
  6
• 氢受体数：
  25