1,2,4,5,6-Pentahydroxyhexan-3-yl 2-[[2-[[1-[2-[[2-[[2-[[1-[2-[[2-[[1-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-3-methylpentanoate

• 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: 1,2,4,5,6-Pentahydroxyhexan-3-yl 2-[[2-[[1-[2-[[2-[[2-[[1-[2-[[2-[[1-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-3-methylpentanoate
• 英文别名: 1,2,4,5,6-pentahydroxyhexan-3-yl 2-[[2-[[1-[2-[[2-[[2-[[1-[2-[[2-[[1-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-3-methylpentanoate
• 化学式: C₇₈H₁₃₄N₁₄O₂₅
• 分子量: 1668.0
• InChiKey: FXTKDCWUFZIDPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  117
• 可旋转键数：
  41
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  581
• 氢给体数：
  19
• 氢受体数：
  25