3-[25-(3-Aminodecanoyl)-9-butan-2-yl-6-(1,2-dihydroxyethyl)-35-hydroxy-3,27-bis(1-hydroxyethyl)-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-12-yl]propanamide

• 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: 3-[25-(3-Aminodecanoyl)-9-butan-2-yl-6-(1,2-dihydroxyethyl)-35-hydroxy-3,27-bis(1-hydroxyethyl)-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-12-yl]propanamide
• 英文别名: 3-[25-(3-aminodecanoyl)-9-butan-2-yl-6-(1,2-dihydroxyethyl)-35-hydroxy-3,27-bis(1-hydroxyethyl)-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-12-yl]propanamide
• 化学式: C₆₅H₁₁₅N₁₃O₂₀
• 分子量: 1398.7
• InChiKey: LUBIYSRAGFTBFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  98
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  522
• 氢给体数：
  17
• 氢受体数：
  21