(1S,4R,7R,10R,16R,19R,22R,25R,28S,31R,34R,37R,40S,47R,50S)-40-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-22-benzyl-16-(2-carboxyethyl)-37-[3-(diaminomethylideneamino)propyl]-19-[(1S)-1-hydroxyethyl]-31-[(4-hydroxyphenyl)methyl]-34-(1H-indol-3-ylmethyl)-7-methyl-25-(2-methylpropyl)-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-42,43,52,53-tetrathia-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecazatricyclo[26.16.10.010,14]tetrapentacontane-50-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (1S,4R,7R,10R,16R,19R,22R,25R,28S,31R,34R,37R,40S,47R,50S)-40-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-22-benzyl-16-(2-carboxyethyl)-37-[3-(diaminomethylideneamino)propyl]-19-[(1S)-1-hydroxyethyl]-31-[(4-hydroxyphenyl)methyl]-34-(1H-indol-3-ylmethyl)-7-methyl-25-(2-methylpropyl)-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-42,43,52,53-tetrathia-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecazatricyclo[26.16.10.010,14]tetrapentacontane-50-carboxylic acid
• 化学式: C₉₇H₁₃₉N₂₇O₂₅S₄
• 分子量: 2211.6
• InChiKey: ZWHDSYOYJKSQRX-RHIJZEKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.6
• 重原子数：
  153
• 可旋转键数：
  36
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  949
• 氢给体数：
  28
• 氢受体数：
  33