(2S,5R)-5-acetamido-2-[(2S,3S,5S)-2-[(3S,5S,6R)-5-acetamido-6-[[(3R,5S,6S)-5-acetamido-6-[3-[[2-[[2-[[1-[2-[[1-[2-[[3-[(2S,5R)-3-acetamido-4-[(2R,5S)-4-[(2S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-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]butanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butan-2-yloxy]-4-[(2R,3S,5S)-4-[(2S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-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: (2S,5R)-5-acetamido-2-[(2S,3S,5S)-2-[(3S,5S,6R)-5-acetamido-6-[[(3R,5S,6S)-5-acetamido-6-[3-[[2-[[2-[[1-[2-[[1-[2-[[3-[(2S,5R)-3-acetamido-4-[(2R,5S)-4-[(2S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-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]butanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butan-2-yloxy]-4-[(2R,3S,5S)-4-[(2S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₁₃₉H₂₂₅N₂₇O₇₆
• 分子量: 3490.4
• InChiKey: HHYPKEXJZFWZBN-LGQDPRKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -28.9
• 重原子数：
  242
• 可旋转键数：
  84
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  1600
• 氢给体数：
  56
• 氢受体数：
  79