2-[[2-[[1-[2-[2-[2-[[2-[[4-amino-2-[[2-[[2-[2-[2-[[1-[4-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-6-carboxy-2-(hydroxymethyl)-3-oxohexanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]-6-carboxy-2-methyl-3-oxohexanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]pentanedioic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[2-[[1-[2-[2-[2-[[2-[[4-amino-2-[[2-[[2-[2-[2-[[1-[4-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-6-carboxy-2-(hydroxymethyl)-3-oxohexanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]-6-carboxy-2-methyl-3-oxohexanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
• 化学式: C₁₀₅H₁₇₄N₃₀O₃₇
• 分子量: 2448.7
• InChiKey: YIDVRLLPRQRYTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.7
• 重原子数：
  172
• 可旋转键数：
  78
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  1080
• 氢给体数：
  36
• 氢受体数：
  42