| 357922-56-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 357922-56-6
• 化学式: C₂₀H₃₆N₂O₅
• 分子量: 384.516
• InChiKey: TZBNRYJPFNTJRJ-QAETUUGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  99.88
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 ((1S,2S)-2-{2-[(1S,2S)-2-(2-{(1S,2S)-2-[2-((1S,2S)-2-Amino-cyclohexyloxy)-acetylamino]-cyclohexyloxy}-acetylamino)-cyclohexyloxy]-acetylamino}-cyclohexyloxy)-acetic acid tert-butyl ester
  参考文献：
  名称：

  Folding Propensity of Cyclohexylether-δ-peptides

  摘要：

  Linear (n = 2-18) and cyclic oligomers (n = 3-8) of a cyclohexylether-delta-amino acid (COA) were prepared in high yield and stereopurity. CID spectra of the linear oligomers were indicative of secondary structure formation. X-ray crystal structures of cyclic COA oligomers revealed hydrophobic packing and internal 5- and 10-membered-ring hydrogen bonds. Ether and amide oxygens reside preferably in an ap orientation. This conformational locking is apparently broken by a C-2 substituent in an asymmetric cyclotrimer, for which a zeolithe-like tubular structure was found.

  DOI：

  10.1021/ol048861q
• 作为产物：
  描述：

  ((1S,2S)-2-Amino-cyclohexyloxy)-acetic acid tert-butyl ester 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Folding Propensity of Cyclohexylether-δ-peptides

  摘要：

  Linear (n = 2-18) and cyclic oligomers (n = 3-8) of a cyclohexylether-delta-amino acid (COA) were prepared in high yield and stereopurity. CID spectra of the linear oligomers were indicative of secondary structure formation. X-ray crystal structures of cyclic COA oligomers revealed hydrophobic packing and internal 5- and 10-membered-ring hydrogen bonds. Ether and amide oxygens reside preferably in an ap orientation. This conformational locking is apparently broken by a C-2 substituent in an asymmetric cyclotrimer, for which a zeolithe-like tubular structure was found.

  DOI：

  10.1021/ol048861q

文献信息

• Cyclohexyletherδ-Amino Acids: New Leads for Selectivity Filters in Ion Channels
  作者：Hans-Dieter Arndt、Andrea Knoll、Ulrich Koert

  DOI：10.1002/1521-3773(20010601)40:11<2076::aid-anie2076>3.0.co;2-g

  日期：2001.6.1

  Synthetic ion channels containing δ-amino acids can become cation selective! δ-Amino acids with a cyclohexylether unit were combined with structural motives from gramicidin A and led to channels with a NH4+ /K+ permeability ratio of >10/1. (The current trace for an NH4+ channel is shown.).