2-[[44-[[2-[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]but-2-enoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-29,32-di(butan-2-yl)-13-(2-carboxyethyl)-16,19-bis(carboxymethyl)-35,38-di(ethylidene)-7-(1H-imidazol-5-ylmethyl)-23,43,50-trimethyl-4-(2-methylpropyl)-3,6,9,12,15,18,21,28,31,34,37,40,45,48,51-pentadecaoxo-47-propan-2-yl-24,42-dithia-2,5,8,11,14,17,20,27,30,33,36,39,46,49,52-pentadecazabicyclo[20.18.12]dopentacontane-26-carbonyl]amino]propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[44-[[2-[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]but-2-enoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-29,32-di(butan-2-yl)-13-(2-carboxyethyl)-16,19-bis(carboxymethyl)-35,38-di(ethylidene)-7-(1H-imidazol-5-ylmethyl)-23,43,50-trimethyl-4-(2-methylpropyl)-3,6,9,12,15,18,21,28,31,34,37,40,45,48,51-pentadecaoxo-47-propan-2-yl-24,42-dithia-2,5,8,11,14,17,20,27,30,33,36,39,46,49,52-pentadecazabicyclo[20.18.12]dopentacontane-26-carbonyl]amino]propanoic acid
• 化学式: C₉₃H₁₃₇N₂₇O₂₈S₂
• 分子量: 2145.4
• InChiKey: XTTVRTRTRBWWOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  150
• 可旋转键数：
  30
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  885
• 氢给体数：
  27
• 氢受体数：
  34