3-[20-(2-Carboxyethyl)-4,7,12,25-tetraethyl-3,8,11,16,21,26-hexamethyl-27,28,29,30,31,32-hexazaheptacyclo[22.2.1.12,5.16,9.110,13.115,18.119,22]dotriaconta-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaen-17-yl]propanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-[20-(2-Carboxyethyl)-4,7,12,25-tetraethyl-3,8,11,16,21,26-hexamethyl-27,28,29,30,31,32-hexazaheptacyclo[22.2.1.12,5.16,9.110,13.115,18.119,22]dotriaconta-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaen-17-yl]propanoic acid
• 英文别名: 3-[20-(2-carboxyethyl)-4,7,12,25-tetraethyl-3,8,11,16,21,26-hexamethyl-27,28,29,30,31,32-hexazaheptacyclo[22.2.1.12,5.16,9.110,13.115,18.119,22]dotriaconta-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaen-17-yl]propanoic acid
• 化学式: C₄₆H₅₆N₆O₄
• 分子量: 757.0
• InChiKey: TVOGTQHHHMDBPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  169
• 氢给体数：
  8
• 氢受体数：
  4