3-[[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-[[1-[[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 3-[[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-[[1-[[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C₁₀₄H₁₅₉N₂₉O₃₁
• 分子量: 2311.6
• InChiKey: RETHEWAGNRATRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.3
• 重原子数：
  164
• 可旋转键数：
  70
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  949
• 氢给体数：
  31
• 氢受体数：
  34