(2S,5R,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-oxobutan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-4-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,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-(diaminomethylideneamino)-1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-oxobutan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-4-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: C₁₀₆H₁₇₂N₂₄O₅₁
• 分子量: 2598.6
• InChiKey: ICAYTURZNTTWBX-VHKGKEASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -20
• 重原子数：
  181
• 可旋转键数：
  61
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  1150
• 氢给体数：
  38
• 氢受体数：
  54