Methyl 1-[2-[[2-[[2-[[4-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]acetyl]-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 - 肽模拟物
• 英文名称: Methyl 1-[2-[[2-[[2-[[4-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• 英文别名: methyl 1-[2-[[2-[[2-[[4-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• 化学式: C₅₀H₈₂N₈O₁₂
• 分子量: 987.2
• InChiKey: CRTPOZWNLFMWPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  70
• 可旋转键数：
  30
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  287
• 氢给体数：
  7
• 氢受体数：
  12