(5S,8R,13S,16R)-5,13-bis[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-8,16-dimethyl-1,9-dioxa-2,6,10,14-tetrazacyclohexadecane-3,7,11,15-tetrone | 1207858-03-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5S,8R,13S,16R)-5,13-bis[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-8,16-dimethyl-1,9-dioxa-2,6,10,14-tetrazacyclohexadecane-3,7,11,15-tetrone
• CAS: 1207858-03-4
• 化学式: C₂₈H₄₄N₄O₁₄
• 分子量: 660.676
• InChiKey: XDFCNIYSNHLJQJ-HDUJEWOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  209
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (2,3,4,5,6-pentafluorophenyl) (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[(2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-aminopropanoyl]amino]oxypropanoyl]amino]propanoyl]amino]oxypropanoate;2,2,2-trifluoroacetic acid 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以0.05 g的产率得到(5S,8R,13S,16R)-5,13-bis[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-8,16-dimethyl-1,9-dioxa-2,6,10,14-tetrazacyclohexadecane-3,7,11,15-tetrone
  参考文献：
  名称：

  Self-Assembling Cyclic Tetrapeptide from Alternating C-Linked Carbo-β-amino Acid [(S)-β-Caa] and α-Aminoxy Acid [(R)-Ama]: A Selective Chloride Ion Receptor

  摘要：

  A cyclic tetrapeptide is prepared from alternating (S)-beta-Caa (C-linked carbo-beta-amino acid) and (R)-Ama (alpha-aminoxy acid). Extensive NMR (in CDCl(3) solution) and mass spectral (MS) studies show its halide binding capacity, with a special affinity to the chloride ion. At higher concentration it was found to form molecular aggregates its evidenced from transmission electron microscopic and atomic force microscopic analysis, confirming the formation of nanorods.

  DOI：

  10.1021/jo901923q