N-[2-[[2-[[5-[[4-[[5-[[5-[[2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-[3-[6-[5-(dithiolan-3-yl)pentanoylamino]hexanoylamino]propanoylamino]-1-methylimidazole-2-carboxamide | 938050-15-8

• 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: N-[2-[[2-[[5-[[4-[[5-[[5-[[2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-[3-[6-[5-(dithiolan-3-yl)pentanoylamino]hexanoylamino]propanoylamino]-1-methylimidazole-2-carboxamide
• CAS: 938050-15-8
• 化学式: C₇₃H₉₈N₂₆O₁₃S₂
• 分子量: 1611.88
• InChiKey: UJOJTHFDPWUNHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  114
• 可旋转键数：
  41
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  523
• 氢给体数：
  13
• 氢受体数：
  20

文献信息

• AUTOMATED SOLID PHASE SYNTHESIS OF PYRROLE-IMIDAZOLE POLYAMIDE
  申请人：Sugiyama Hiroshi

  公开号：US20090171097A1

  公开（公告）日：2009-07-02

  A synthesis method for pyrrole-imidazole polyamide is automated at a higher level and can produce a product with a high yield in a more stable manner. In a solid phase synthesis method, the automated synthesis of a polyimide can be promoted by using HCTU as a condensation-activator, the yield of a product can be increased by charging a monomer in a solid form, and a pyrrole-imidazole polyamide having any sequence can be synthesis by combining the synthesis method with a manual synthesis with an acid chloride.