2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[bis(carboxymethyl)amino]-3-[4-[[3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoyl]amino]phenyl]propyl]amino]acetic acid;(2,3,5,6-tetrafluorophenyl) 3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[bis(carboxymethyl)amino]-3-[4-[[3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoyl]amino]phenyl]propyl]amino]acetic acid;(2,3,5,6-tetrafluorophenyl) 3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoate
• 英文别名: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-[2-[bis(carboxymethyl)amino]-3-[4-[[3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoyl]amino]phenyl]propyl]amino]acetic acid;(2,3,5,6-tetrafluorophenyl) 3-[3-[2-[2-[3-[[4-methoxy-4-oxo-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-(methylamino)benzoate
• 化学式: C99H138F4N16O31S2
• 分子量: 2188.4
• InChiKey: IFBZPSKBCXECMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  152
• 可旋转键数：
  74
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  691
• 氢给体数：
  18
• 氢受体数：
  42