5-(3-carbamoylpropanamido)-1-[(1-{[1-({2-carboxy-2-hydroxy-1-[({[2-hydroxy-1-({2-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)carbamoyl]ethyl}carbamoyl)propyl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-8,9-dihydroxy-1H,2H,3H,4H,4aH-pyrimido[1,2-a]quinolin-4a-ylium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 5-(3-carbamoylpropanamido)-1-[(1-{[1-({2-carboxy-2-hydroxy-1-[({[2-hydroxy-1-({2-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)carbamoyl]ethyl}carbamoyl)propyl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-8,9-dihydroxy-1H,2H,3H,4H,4aH-pyrimido[1,2-a]quinolin-4a-ylium
• 化学式: C43H61N12O19+
• InChiKey: OIEBXUSBDRLKGH-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -6.6
• 重原子数：
  74.0
• 可旋转键数：
  24.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  492.07
• 氢给体数：
  18.0
• 氢受体数：
  20.0