2-[9-(3-aminopropyl)-31-[(5-hydroxy-1H-indol-3-yl)methyl]-6-(1H-imidazol-4-ylmethyl)-25-(1H-indol-3-ylmethyl)-3,19-diisopropyl-13-(10-methylundecyl)-2,5,8,11,15,18,21,24,27,30,33,36,39-tridecaoxo-34-(3-ureidopropyl)-14-oxa-1,4,7,10,17,20,23,26,29,32,35,38-dodecazabicyclo[38.3.0]tritetracontan-16-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 2-[9-(3-aminopropyl)-31-[(5-hydroxy-1H-indol-3-yl)methyl]-6-(1H-imidazol-4-ylmethyl)-25-(1H-indol-3-ylmethyl)-3,19-diisopropyl-13-(10-methylundecyl)-2,5,8,11,15,18,21,24,27,30,33,36,39-tridecaoxo-34-(3-ureidopropyl)-14-oxa-1,4,7,10,17,20,23,26,29,32,35,38-dodecazabicyclo[38.3.0]tritetracontan-16-yl]acetic acid
• 英文别名: 2-[9-(3-aminopropyl)-34-[3-(carbamoylamino)propyl]-31-[(5-hydroxy-1H-indol-3-yl)methyl]-6-(1H-imidazol-5-ylmethyl)-25-(1H-indol-3-ylmethyl)-13-(10-methylundecyl)-2,5,8,11,15,18,21,24,27,30,33,36,39-tridecaoxo-3,19-di(propan-2-yl)-14-oxa-1,4,7,10,17,20,23,26,29,32,35,38-dodecazabicyclo[38.3.0]tritetracontan-16-yl]acetic acid
• 化学式: C₇₉H₁₁₅N₁₉O₁₈
• 分子量: 1618.9
• InChiKey: JHVZOPAAIYXZCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  116
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  566
• 氢给体数：
  19
• 氢受体数：
  20