(2,3,5,6-Tetrafluorophenyl) 3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoate;2-[4,8,11-tris(carboxymethyl)-6-[[4-[[3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid

• 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: (2,3,5,6-Tetrafluorophenyl) 3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoate;2-[4,8,11-tris(carboxymethyl)-6-[[4-[[3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
• 英文别名: (2,3,5,6-tetrafluorophenyl) 3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoate;2-[4,8,11-tris(carboxymethyl)-6-[[4-[[3-(methylamino)-5-[3-[2-[2-[3-[[2-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
• 化学式: C95H137F4N17O25S2
• 分子量: 2057.3
• InChiKey: LPKYIYQULVUMET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  143
• 可旋转键数：
  61
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  587
• 氢给体数：
  15
• 氢受体数：
  37