3-[[5-Amino-2-[[2-[[2-[[2-[[5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-4-[[4-amino-1-[6-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-4-oxobutyl]amino]-2-hydroxy-4-oxobutanoic 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: 3-[[5-Amino-2-[[2-[[2-[[2-[[5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-4-[[4-amino-1-[6-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-4-oxobutyl]amino]-2-hydroxy-4-oxobutanoic acid
• 英文别名: 3-[[5-amino-2-[[2-[[2-[[2-[[5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-4-[[4-amino-1-[6-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-4-oxobutyl]amino]-2-hydroxy-4-oxobutanoic acid
• 化学式: C₅₇H₈₄N₁₈O₂₄
• 分子量: 1405.4
• InChiKey: YGCMMGWVJDMNLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14
• 重原子数：
  99
• 可旋转键数：
  36
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  679
• 氢给体数：
  24
• 氢受体数：
  28