2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-Aminopropanoylamino)-3-hydroxybutanoyl]-methylamino]-3-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxybutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]acetyl]amino]benzoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-Aminopropanoylamino)-3-hydroxybutanoyl]-methylamino]-3-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxybutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]acetyl]amino]benzoic acid
• 英文别名: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]-methylamino]-3-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxybutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]acetyl]amino]benzoic acid
• 化学式: C₆₉H₁₁₈N₁₂O₂₀
• 分子量: 1435.7
• InChiKey: ZKRHKJXJSFWIBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  101
• 可旋转键数：
  37
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  442
• 氢给体数：
  11
• 氢受体数：
  21