6-amino-2-[[5-amino-2-[[2-[[2-[[2-[2-[[5-amino-2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic 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: 6-amino-2-[[5-amino-2-[[2-[[2-[[2-[2-[[5-amino-2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
• 化学式: C₁₀₀H₁₆₂N₂₈O₃₂S
• 分子量: 2300.6
• InChiKey: GELHJSZTSGVPPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.8
• 重原子数：
  161
• 可旋转键数：
  75
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  979
• 氢给体数：
  32
• 氢受体数：
  37