2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]butanedioic 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: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]butanedioic acid
• 英文别名: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]butanedioic acid
• 化学式: C₄₆H₇₈N₁₄O₁₄
• 分子量: 1051.2
• InChiKey: HFNDHPFDJNZSFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  74
• 可旋转键数：
  35
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  464
• 氢给体数：
  15
• 氢受体数：
  17