N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylamino]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide; 2,2,2-trifluoroacetic 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: N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylamino]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid
• 英文别名: N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylamino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
• 化学式: C47H57F3N16O10
• 分子量: 1063.1
• InChiKey: MCBLQZPIDQATDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  76
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  316
• 氢给体数：
  9
• 氢受体数：
  15