Benzyl 6-[(3,4-difluorophenoxy)methyl]-1-[3-[6-[4-[6-[(3,4-difluorophenoxy)methyl]-4-phenylmethoxycarbonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-[2-(methylamino)propanoylamino]-4-oxobutan-2-yl]oxyhex-4-ynoxy]-2-[2-(methylamino)propanoylamino]butanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate

• 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: Benzyl 6-[(3,4-difluorophenoxy)methyl]-1-[3-[6-[4-[6-[(3,4-difluorophenoxy)methyl]-4-phenylmethoxycarbonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-[2-(methylamino)propanoylamino]-4-oxobutan-2-yl]oxyhex-4-ynoxy]-2-[2-(methylamino)propanoylamino]butanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
• 英文别名: benzyl 6-[(3,4-difluorophenoxy)methyl]-1-[3-[6-[4-[6-[(3,4-difluorophenoxy)methyl]-4-phenylmethoxycarbonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-[2-(methylamino)propanoylamino]-4-oxobutan-2-yl]oxyhex-4-ynoxy]-2-[2-(methylamino)propanoylamino]butanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
• 化学式: C₆₄H₇₈F₄N₈O₁₂
• 分子量: 1227.3
• InChiKey: CSZIPHNWZAQPIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  88
• 可旋转键数：
  28
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  219
• 氢给体数：
  4
• 氢受体数：
  18