2-[28-[Carboxy(hydroxy)methyl]-9-[3-(diaminomethylideneamino)propyl]-13,32-dihydroxy-21-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-25-(11-methyldodecyl)-2,5,8,11,17,20,23,27,30-nonaoxo-26-oxa-1,4,7,10,16,19,22,29-octazatricyclo[29.3.0.012,16]tetratriacontan-6-yl]-2-hydroxyacetic 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-[28-[Carboxy(hydroxy)methyl]-9-[3-(diaminomethylideneamino)propyl]-13,32-dihydroxy-21-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-25-(11-methyldodecyl)-2,5,8,11,17,20,23,27,30-nonaoxo-26-oxa-1,4,7,10,16,19,22,29-octazatricyclo[29.3.0.012,16]tetratriacontan-6-yl]-2-hydroxyacetic acid
• 英文别名: 2-[28-[carboxy(hydroxy)methyl]-9-[3-(diaminomethylideneamino)propyl]-13,32-dihydroxy-21-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-25-(11-methyldodecyl)-2,5,8,11,17,20,23,27,30-nonaoxo-26-oxa-1,4,7,10,16,19,22,29-octazatricyclo[29.3.0.012,16]tetratriacontan-6-yl]-2-hydroxyacetic acid
• 化学式: C₅₀H₈₃N₁₁O₂₀
• 分子量: 1158.3
• InChiKey: HFPVTZNYHFSJMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  81
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  502
• 氢给体数：
  16
• 氢受体数：
  21