2-[4-(Carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)methylamino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)methyl-(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;formaldehyde

• 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: 2-[4-(Carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)methylamino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)methyl-(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;formaldehyde
• 英文别名: 2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)methylamino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-3-[[4-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)methyl-(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;formaldehyde
• 化学式: C61H94F3N13O19S2
• 分子量: 1434.6
• InChiKey: AUXMKIDZBPSSLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.87
• 重原子数：
  98
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  478
• 氢给体数：
  12
• 氢受体数：
  33