(2S,3S)-tert-butyl 3-methyl-2-((S)-pyrrolidin-3-ylamino)pentanoate hydrochloride | 1316848-09-5

• 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: (2S,3S)-tert-butyl 3-methyl-2-((S)-pyrrolidin-3-ylamino)pentanoate hydrochloride
• 英文别名: tert-butyl (2S,3S)-3-methyl-2-[[(3S)-pyrrolidin-3-yl]amino]pentanoate;hydrochloride
• CAS: 1316848-09-5
• 化学式: C₁₄H₂₈N₂O₂*ClH
• 分子量: 292.849
• InChiKey: XQDDHCZYWGBSCS-LFELFHSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  50.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 14.0h， 生成 (2S,3S)-tert-butyl 3-methyl-2-((S)-pyrrolidin-3-ylamino)pentanoate hydrochloride
  参考文献：
  名称：

  Pyrrolinone–Pyrrolidine Oligomers as Universal Peptidomimetics

  摘要：

  Peptidomimetics 1-3 were prepared from amino acid-derived tetramic acids 7 as the key starting materials. Calculations show that preferred conformations of 1 can align their side-chain vectors with amino acids in common secondary structures more effectively than conformations of 3. A good fit was found for a preferred conformation of 2 (an extended derivative of 1) with a sheet/beta-turn/sheet motif.

  DOI：

  10.1021/ja2033734

文献信息

• PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS
  申请人：Burgess Kevin

  公开号：US20130288331A1

  公开（公告）日：2013-10-31

  Provided herein are compounds and methods of using same for the perturbation and/or inhibition of protein-protein interactions. Also provided herein is a data mining method useful for the identification of protein-protein interactions that may be inhibited by these compounds.