2-[12-[[2-[2-[[5-[Acetyl(hydroxy)amino]-2-[[2-[[5-[(4-amino-3-hydroxy-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]propanoylamino]acetyl]amino]-3-(1-hydroxyethyl)-9-(hydroxymethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-6-yl]-2-hydroxyacetic acid

• 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: 2-[12-[[2-[2-[[5-[Acetyl(hydroxy)amino]-2-[[2-[[5-[(4-amino-3-hydroxy-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]propanoylamino]acetyl]amino]-3-(1-hydroxyethyl)-9-(hydroxymethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-6-yl]-2-hydroxyacetic acid
• 英文别名: 2-[12-[[2-[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[5-[(4-amino-3-hydroxy-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]propanoylamino]acetyl]amino]-3-(1-hydroxyethyl)-9-(hydroxymethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-6-yl]-2-hydroxyacetic acid
• 化学式: C₄₆H₆₃N₁₃O₂₃
• 分子量: 1166.1
• InChiKey: SHTGLBGMTGQZGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  82
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  563
• 氢给体数：
  19
• 氢受体数：
  25