(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[1-[(2R)-2-[[(2R)-2-[[(2S,3S)-3-[(2R,3S,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2R)-2-[[(2S,3R)-2-[[(2R)-2-[[1-[(2R)-2-[[(2R)-2-[[(2S,3S)-3-[(2R,3S,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
• 化学式: C₈₈H₁₄₀N₂₀O₃₇
• 分子量: 2070.2
• InChiKey: UTQHLYJFMFKSGI-ZUMWLQPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.7
• 重原子数：
  145
• 可旋转键数：
  62
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  912
• 氢给体数：
  31
• 氢受体数：
  39