(2S,5S)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[3-carboxy-1-[[1-[[5-(diaminomethylideneamino)-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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,5S)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[3-carboxy-1-[[1-[[5-(diaminomethylideneamino)-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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: C₈₁H₁₃₂N₂₀O₃₉
• 分子量: 2010.0
• InChiKey: QFFPYZLOEDVOLE-ZYEHKBOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17
• 重原子数：
  140
• 可旋转键数：
  49
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  920
• 氢给体数：
  31
• 氢受体数：
  42