3-[4-[2-[[5-Formyloxy-2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]pentyl]-[2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]ethyl]amino]ethylcarbamoyl]-3-hydroxy-6-methyl-2-oxopyridin-1-yl]propane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-[4-[2-[[5-Formyloxy-2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]pentyl]-[2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]ethyl]amino]ethylcarbamoyl]-3-hydroxy-6-methyl-2-oxopyridin-1-yl]propane-1-sulfonic acid
• 英文别名: 3-[4-[2-[[5-formyloxy-2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]pentyl]-[2-[[3-hydroxy-6-methyl-2-oxo-1-(3-sulfopropyl)pyridine-4-carbonyl]amino]ethyl]amino]ethylcarbamoyl]-3-hydroxy-6-methyl-2-oxopyridin-1-yl]propane-1-sulfonic acid
• 化学式: C₄₀H₅₇N₇O₂₀S₃
• 分子量: 1052.1
• InChiKey: ORBIYVIENQBZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  70
• 可旋转键数：
  29
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  427
• 氢给体数：
  9
• 氢受体数：
  21