Methyl 1-[2-[[1-[5-amino-2-[[2-[[2-[[2-[9-[4-(4-hydroxyphenyl)butanoylamino]nonanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

• 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: Methyl 1-[2-[[1-[5-amino-2-[[2-[[2-[[2-[9-[4-(4-hydroxyphenyl)butanoylamino]nonanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• 英文别名: methyl 1-[2-[[1-[5-amino-2-[[2-[[2-[[2-[9-[4-(4-hydroxyphenyl)butanoylamino]nonanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• 化学式: C₆₄H₉₉N₉O₁₂
• 分子量: 1186.5
• InChiKey: NSVRPKQYFYOKJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  85
• 可旋转键数：
  36
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  279
• 氢给体数：
  5
• 氢受体数：
  12