4-[[2-[[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic 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: 4-[[2-[[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
• 英文别名: 4-[[2-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
• 化学式: C₄₃H₇₃N₉O₂₇S
• 分子量: 1180.2
• InChiKey: FJUUTPICZLQRNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.1
• 重原子数：
  80
• 可旋转键数：
  32
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  587
• 氢给体数：
  20
• 氢受体数：
  29