(10S,13S,16S,19S,22S,25S,28S)-28-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[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]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-25-(4-aminobutyl)-13,16-bis[3-(diaminomethylideneamino)propyl]-19-(2-methylpropyl)-12,15,18,21,24,27-hexaoxo-22-propan-2-yl-2,3,5,7,11,14,17,20,23,26-decazatricyclo[28.2.2.04,8]tetratriaconta-1(33),2,4(8),5,30(34),31-hexaene-10-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (10S,13S,16S,19S,22S,25S,28S)-28-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[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]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-25-(4-aminobutyl)-13,16-bis[3-(diaminomethylideneamino)propyl]-19-(2-methylpropyl)-12,15,18,21,24,27-hexaoxo-22-propan-2-yl-2,3,5,7,11,14,17,20,23,26-decazatricyclo[28.2.2.04,8]tetratriaconta-1(33),2,4(8),5,30(34),31-hexaene-10-carboxylic acid
• 化学式: C₁₅₀H₂₅₀N₅₂O₄₃S₂
• 分子量: 3534.0
• InChiKey: UHJMCUDWJGLROX-WBKMOBISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -19
• 重原子数：
  247
• 可旋转键数：
  106
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  1620
• 氢给体数：
  53
• 氢受体数：
  56