N-[1-[[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[9-[[2-[[2-[[5-(aminomethylamino)-2-[[3-cyclohepta-1,3,6-trien-1-yl-2-[[2-[[2-[[2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-6-(hydroxymethyl)-2-methyl-5,8-dioxo-4,7,12-triazabicyclo[9.2.1]tetradec-11-ene-3-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]butanediamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: N-[1-[[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[9-[[2-[[2-[[5-(aminomethylamino)-2-[[3-cyclohepta-1,3,6-trien-1-yl-2-[[2-[[2-[[2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-6-(hydroxymethyl)-2-methyl-5,8-dioxo-4,7,12-triazabicyclo[9.2.1]tetradec-11-ene-3-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]butanediamide
• 化学式: C₁₀₄H₁₆₄N₂₈O₂₂
• 分子量: 2158.6
• InChiKey: MPGWLWOLCDNLPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  154
• 可旋转键数：
  72
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  827
• 氢给体数：
  31
• 氢受体数：
  28