(2S,5R,6R)-5-acetamido-2-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-[(2S,5R)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-6-[[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2R,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[5-carbamimidamido-1-[2-[[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[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]-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,5R,6R)-5-acetamido-2-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-[(2S,5R)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-6-[[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2R,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[5-carbamimidamido-1-[2-[[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[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]-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: C₁₆₁H₂₅₇N₂₉O₇₆
• 分子量: 3814.9
• InChiKey: FKSQCTRNIGTITL-WGUXJUQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -20.9
• 重原子数：
  266
• 可旋转键数：
  100
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  1610
• 氢给体数：
  54
• 氢受体数：
  79