2-[2-[Carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[2-[3-[4,5,19,20-tetraethyl-14-(4-methoxy-4-oxobutyl)-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-10-yl]propanoylamino]ethylamino]ethyl]amino]ethyl]amino]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2-[2-[Carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[2-[3-[4,5,19,20-tetraethyl-14-(4-methoxy-4-oxobutyl)-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-10-yl]propanoylamino]ethylamino]ethyl]amino]ethyl]amino]acetic acid
• 英文别名: 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[2-[3-[4,5,19,20-tetraethyl-14-(4-methoxy-4-oxobutyl)-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-10-yl]propanoylamino]ethylamino]ethyl]amino]ethyl]amino]acetic acid
• 化学式: C₅₅H₇₈N₁₀O₁₂
• 分子量: 1071.3
• InChiKey: GCNRCRMJRMHNDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  77
• 可旋转键数：
  33
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  300
• 氢给体数：
  9
• 氢受体数：
  17