2-[[4-[Bis(4-methoxyphenyl)methylamino]-2-[[1-[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]propanoic 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-[[4-[Bis(4-methoxyphenyl)methylamino]-2-[[1-[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]propanoic acid
• 英文别名: 2-[[4-[bis(4-methoxyphenyl)methylamino]-2-[methyl-[1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]-methylamino]propanoic acid
• 化学式: C₆₁H₈₈N₈O₁₃
• 分子量: 1141.4
• InChiKey: BRJUVVRSMHREFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  82
• 可旋转键数：
  27
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  245
• 氢给体数：
  3
• 氢受体数：
  13