(2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2R,5R,6S)-5-acetamido-2-[(2R,5S)-2-[(2S,5R)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxyoxane-2-carboxylic acid
• 化学式: C₁₀₈H₁₇₂N₂₄O₄₂
• 分子量: 2478.7
• InChiKey: LXDLEINWPPQKOP-CKKPSZOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.3
• 重原子数：
  174
• 可旋转键数：
  73
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  1020
• 氢给体数：
  34
• 氢受体数：
  45