5-[Acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[1-[1-[2-[[3-carboxy-2-[[7-(diaminomethylideneamino)-3-hydroxy-2-methyl-4-(tetradecanoylamino)heptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidin-2-yl]ethenylamino]pentanoyl]amino]pentanoic 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: 5-[Acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[1-[1-[2-[[3-carboxy-2-[[7-(diaminomethylideneamino)-3-hydroxy-2-methyl-4-(tetradecanoylamino)heptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidin-2-yl]ethenylamino]pentanoyl]amino]pentanoic acid
• 英文别名: 5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[1-[1-[2-[[3-carboxy-2-[[7-(diaminomethylideneamino)-3-hydroxy-2-methyl-4-(tetradecanoylamino)heptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidin-2-yl]ethenylamino]pentanoyl]amino]pentanoic acid
• 化学式: C₅₀H₈₉N₁₁O₁₆
• 分子量: 1100.3
• InChiKey: XUXNHVBATPWIQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  77
• 可旋转键数：
  41
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  430
• 氢给体数：
  14
• 氢受体数：
  18