2-[[1-[2-[[5-amino-2-[[[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]methyl]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic 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-[[1-[2-[[5-amino-2-[[[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]methyl]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
• 英文别名: 2-[[1-[2-[[5-amino-2-[[[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]methyl]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
• 化学式: C₆₀H₉₆N₁₆O₁₄
• 分子量: 1265.5
• InChiKey: JDRHGMVSJFWMSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  90
• 可旋转键数：
  38
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  489
• 氢给体数：
  16
• 氢受体数：
  16