[3-Methyl-1-[[2-[methyl-(4-methyl-2-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxopentan-2-yl] 3-[2-[[4-[[2-[[2-[(2-aminoacetyl)-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]amino]-2,2-dimethyl-3-oxopentanoyl]amino]propanoylamino]-2-methylpentanoate

• 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: [3-Methyl-1-[[2-[methyl-(4-methyl-2-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxopentan-2-yl] 3-[2-[[4-[[2-[[2-[(2-aminoacetyl)-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]amino]-2,2-dimethyl-3-oxopentanoyl]amino]propanoylamino]-2-methylpentanoate
• 英文别名: [3-methyl-1-[[2-[methyl-(4-methyl-2-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxopentan-2-yl] 3-[2-[[4-[[2-[[2-[(2-aminoacetyl)-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]amino]-2,2-dimethyl-3-oxopentanoyl]amino]propanoylamino]-2-methylpentanoate
• 化学式: C₅₁H₈₄N₈O₁₂
• 分子量: 1001.3
• InChiKey: XQYFZYBSNWJRDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  71
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  273
• 氢给体数：
  5
• 氢受体数：
  13