(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S,5S,8S,11S,14S,23S)-11-(4-aminobutyl)-23-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-8-[3-(diaminomethylideneamino)propyl]-2-[(1R)-1-hydroxyethyl]-5-methyl-3,6,9,12,17,24-hexaoxo-1,4,7,10,13,18-hexazacyclotetracosane-14-carbonyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide

• 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)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S,5S,8S,11S,14S,23S)-11-(4-aminobutyl)-23-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-8-[3-(diaminomethylideneamino)propyl]-2-[(1R)-1-hydroxyethyl]-5-methyl-3,6,9,12,17,24-hexaoxo-1,4,7,10,13,18-hexazacyclotetracosane-14-carbonyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide
• 化学式: C₉₆H₁₇₄N₃₆O₂₆S
• 分子量: 2280.7
• InChiKey: XQSBANOJNRJJIQ-PCXPZXRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12
• 重原子数：
  159
• 可旋转键数：
  65
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  1070
• 氢给体数：
  35
• 氢受体数：
  34