Tert-butyl 6-[[1-[4-[2-[[2-[[7-(3,4-difluorophenoxy)-6-[1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]-3-methylpyrrolidin-2-yl]-4-methyl-2-oxohept-3-enyl]amino]-2-oxoacetyl]amino]acetyl]-6-[(3,4-difluorophenoxy)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,5-dimethyl-6-oxohex-2-enoate

• 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: Tert-butyl 6-[[1-[4-[2-[[2-[[7-(3,4-difluorophenoxy)-6-[1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]-3-methylpyrrolidin-2-yl]-4-methyl-2-oxohept-3-enyl]amino]-2-oxoacetyl]amino]acetyl]-6-[(3,4-difluorophenoxy)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,5-dimethyl-6-oxohex-2-enoate
• 英文别名: tert-butyl 6-[[1-[4-[2-[[2-[[7-(3,4-difluorophenoxy)-6-[1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]-3-methylpyrrolidin-2-yl]-4-methyl-2-oxohept-3-enyl]amino]-2-oxoacetyl]amino]acetyl]-6-[(3,4-difluorophenoxy)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,5-dimethyl-6-oxohex-2-enoate
• 化学式: C₆₉H₉₈F₄N₈O₁₄
• 分子量: 1339.6
• InChiKey: NOONLRJMUWJPGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  95
• 可旋转键数：
  30
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  269
• 氢给体数：
  4
• 氢受体数：
  18