2-[[2-[[5-Amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(3,4-dimethyl-5-oxopyrrolidine-2-carbonyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic 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-[[5-Amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(3,4-dimethyl-5-oxopyrrolidine-2-carbonyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid
• 英文别名: 2-[[2-[[5-amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(3,4-dimethyl-5-oxopyrrolidine-2-carbonyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid
• 化学式: C₄₇H₇₆N₁₂O₁₅
• 分子量: 1049.2
• InChiKey: QNVNGFDTOCUSEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  74
• 可旋转键数：
  29
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  430
• 氢给体数：
  13
• 氢受体数：
  16