(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-(1-ethoxyethyl)-7-ethyl-3,8,13,17-tetramethyl-17,18,21,22,23,24-hexahydroporphyrin-2-carboxylic acid;(21S,22S)-16-ethenyl-11-ethyl-3,17,21,26-tetramethyl-4-oxo-22-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-12-carbaldehyde;(21S,22S)-16-(1-ethoxyethyl)-11-ethyl-3,12,17,21,26-pentamethyl-22-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-4-one

• 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: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-(1-ethoxyethyl)-7-ethyl-3,8,13,17-tetramethyl-17,18,21,22,23,24-hexahydroporphyrin-2-carboxylic acid;(21S,22S)-16-ethenyl-11-ethyl-3,17,21,26-tetramethyl-4-oxo-22-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene-12-carbaldehyde;(21S,22S)-16-(1-ethoxyethyl)-11-ethyl-3,12,17,21,26-pentamethyl-22-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-4-one
• 化学式: C106H128N12O11
• 分子量: 1746.2
• InChiKey: GKNSEZNZXKPKIH-GDYZBFEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.86
• 重原子数：
  129
• 可旋转键数：
  21
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  349
• 氢给体数：
  15
• 氢受体数：
  17