N-[1-[[1-[[1-amino-3-(2,5-dihydro-1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-(hexadecanoylamino)-3,8-dimethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-11-carbonyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(pentanimidoylamino)pentanoyl]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-(2,5-dihydro-1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-(hexadecanoylamino)-3,8-dimethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-11-carbonyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(pentanimidoylamino)pentanoyl]amino]butanediamide
• 化学式: C₁₀₈H₁₇₁N₂₇O₂₁
• 分子量: 2183.7
• InChiKey: JSNCPBVFLGUIET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  156
• 可旋转键数：
  73
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  770
• 氢给体数：
  28
• 氢受体数：
  27