N-[2-[[2-[4-aminobutyl-[2-[1,3-benzodioxol-5-ylmethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]-2-(3-imidazol-1-ylpropylamino)-N-prop-2-enylacetamide

• 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-[2-[[2-[4-aminobutyl-[2-[1,3-benzodioxol-5-ylmethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]-2-(3-imidazol-1-ylpropylamino)-N-prop-2-enylacetamide
• 化学式: C₄₀H₅₂N₈O₉
• 分子量: 788.9
• InChiKey: TXWOIIFLWMPMIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  57
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  191
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• PEPTOIDS THAT BIND SPECIFIC ANTIGENS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20150377879A1

  公开（公告）日：2015-12-31

  Combinatorial libraries were generated providing a vast number of diverse peptoid ligands. From these libraries, ligands were identified which specifically bind molecules associated with autoimmune diseases, such as antibodies specific to aquaporin-4 (AQP4), binding of which to AQP4 causes the autoimmune disease, Neuoromyelitis Optica. Methods of generating peptoid libraries and for diagnosing Neuromyelitis Optica are also provided.
• [EN] PEPTOIDS THAT BIND SPECIFIC ANTIGENS<br/>[FR] PEPTOÏDES QUI SE LIENT À DES ANTIGÈNES SPÉCIFIQUES
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2014127111A1

  公开（公告）日：2014-08-21

  Combinatorial libraries were generated providing a vast number of diverse peptoid ligands. From these libraries, ligands were identified which specifically bind molecules associated with autoimmune diseases, such as antibodies specific to aquaporin-4 (AQP4), binding of which to AQP4 causes the autoimmune disease, Neuoromyelitis Optica. Methods of generating peptoid libraries and for diagnosing Neuromyelitis Optica are also provided.