3-[[2-[[6-Amino-2-[[2-[[1-[1-[6-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[2-[2-[2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 3-[[2-[[6-Amino-2-[[2-[[1-[1-[6-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[2-[2-[2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid
• 英文别名: 3-[[2-[[6-amino-2-[[2-[[1-[1-[6-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[2-[2-[2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid
• 化学式: C₈₅H₁₄₄N₂₆O₂₈S
• 分子量: 2010.3
• InChiKey: HOWHQWFXSLOJEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.6
• 重原子数：
  140
• 可旋转键数：
  65
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  915
• 氢给体数：
  26
• 氢受体数：
  35