(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(10S,13S,19S,22S,25S,28S,31S,34S,37S,40S,43S,46S,52S,58S)-10-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-22-(4-aminobutyl)-13-benzyl-34-[(2S)-butan-2-yl]-19,31-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-5-hydroxy-37,40,43,46-tetrakis(hydroxymethyl)-52-(2-methylpropyl)-25-(2-methylsulfanylethyl)-11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56-hexadecaoxo-2,3,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-octadecazatricyclo[58.2.2.14,8]pentahexaconta-1(63),2,4,6,8(65),60(64),61-heptaene-58-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(10S,13S,19S,22S,25S,28S,31S,34S,37S,40S,43S,46S,52S,58S)-10-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-22-(4-aminobutyl)-13-benzyl-34-[(2S)-butan-2-yl]-19,31-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-5-hydroxy-37,40,43,46-tetrakis(hydroxymethyl)-52-(2-methylpropyl)-25-(2-methylsulfanylethyl)-11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56-hexadecaoxo-2,3,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-octadecazatricyclo[58.2.2.14,8]pentahexaconta-1(63),2,4,6,8(65),60(64),61-heptaene-58-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
• 化学式: C₁₅₅H₂₅₂N₅₂O₄₃S₂
• 分子量: 3596.1
• InChiKey: FJXFDRXKVFPNJQ-ZHUVWMDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.5
• 重原子数：
  252
• 可旋转键数：
  89
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  1610
• 氢给体数：
  55
• 氢受体数：
  56