2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[5-[4-[2-[(2-acetamido-3-methylpentanoyl)amino]-6-aminohexanoyl]piperazin-1-yl]indol-1-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-methylpentanediamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[5-[4-[2-[(2-acetamido-3-methylpentanoyl)amino]-6-aminohexanoyl]piperazin-1-yl]indol-1-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-methylpentanediamide
• 化学式: C₁₀₆H₁₅₇N₃₃O₂₁
• 分子量: 2229.6
• InChiKey: WCVFSGXRBYYOCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  160
• 可旋转键数：
  69
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  873
• 氢给体数：
  31
• 氢受体数：
  27