Ditert-butyl 7-methyl-10-[[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-5-[[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl-[7-[(2-methylpropan-2-yl)oxy]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-7-oxoheptyl]amino]methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ditert-butyl 7-methyl-10-[[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-5-[[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl-[7-[(2-methylpropan-2-yl)oxy]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-7-oxoheptyl]amino]methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate
• 英文别名: ditert-butyl 7-methyl-10-[[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-5-[[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl-[7-[(2-methylpropan-2-yl)oxy]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-7-oxoheptyl]amino]methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate
• 化学式: C₆₁H₁₀₉N₇O₁₃
• 分子量: 1148.6
• InChiKey: GFAXOIARCPWVRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  81
• 可旋转键数：
  37
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  191
• 氢给体数：
  1
• 氢受体数：
  17