3-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-[[4-guanidino-1-[[1-[[1-[[1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-4-oxo-butanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-[[4-guanidino-1-[[1-[[1-[[1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-4-oxo-butanoic acid
• 英文别名: 3-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C₅₀H₈₄N₁₆O₁₃
• 分子量: 1117.3
• InChiKey: NXLSERXNLFPOAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  79
• 可旋转键数：
  36
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  475
• 氢给体数：
  16
• 氢受体数：
  17