2-[2-[[3-Methyl-2-[[3-methyl-2-[[2,4,10-trimethyl-1-[2-[[4-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]propanoyl]-5-(2-methylpropyl)-3,6-dioxo-1,4,7-triazecane-8-carbonyl]amino]butanoyl]amino]hept-5-enoyl]amino]butanoylamino]acetic 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-[[3-Methyl-2-[[3-methyl-2-[[2,4,10-trimethyl-1-[2-[[4-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]propanoyl]-5-(2-methylpropyl)-3,6-dioxo-1,4,7-triazecane-8-carbonyl]amino]butanoyl]amino]hept-5-enoyl]amino]butanoylamino]acetic acid
• 英文别名: 2-[2-[[3-methyl-2-[[3-methyl-2-[[2,4,10-trimethyl-1-[2-[[4-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]propanoyl]-5-(2-methylpropyl)-3,6-dioxo-1,4,7-triazecane-8-carbonyl]amino]butanoyl]amino]hept-5-enoyl]amino]butanoylamino]acetic acid
• 化学式: C₅₃H₉₂N₁₀O₁₃
• 分子量: 1077.4
• InChiKey: MXLGBITUDHZNRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  76
• 可旋转键数：
  27
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  320
• 氢给体数：
  9
• 氢受体数：
  13