N-(4-bromobenzyl-1-carbonyl)-glycyl-tyrosine methyl ester | 356570-58-6

• 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-(4-bromobenzyl-1-carbonyl)-glycyl-tyrosine methyl ester
• 英文别名: Bba-Gly-Tyr-OMe
• CAS: 356570-58-6
• 化学式: C₁₉H₁₉BrN₂O₅
• 分子量: 435.274
• InChiKey: YUICTDYBGOPWEK-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 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：
  0.21
• 拓扑面积：
  104.73
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(4-bromobenzyl-1-carbonyl)-glycyl-tyrosine methyl ester 在 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以64.2%的产率得到N-(4-bromobenzyl-1-carbonyl)-glycyl-tyrosine
  参考文献：
  名称：

  Neutral Peptide Biradicals Formed by Dissociative Electron Transfer

  摘要：

  [GRAPHICS]A new method for the generation of transient neutral biradicals in liquid solution is reported. Photoinduced electron transfer in aqueous solution of the structures shown above leads to neutral biradicals with peptide spacers. Exchange interactions were measured using time-resolved electron paramagnetic resonance (TREPR) and found to be large for the biradicals possessing two and three glycine residue spacers, These findings are compared to previous results from alkyl spaced biradicals of similar chain length.

  DOI：

  10.1021/ol0160452
• 作为产物：
  描述：

  4-溴苯甲酸 在 4-二甲氨基吡啶 氢氧化钾 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 3.0h， 生成 N-(4-bromobenzyl-1-carbonyl)-glycyl-tyrosine methyl ester
  参考文献：
  名称：

  Neutral Peptide Biradicals Formed by Dissociative Electron Transfer

  摘要：

  [GRAPHICS]A new method for the generation of transient neutral biradicals in liquid solution is reported. Photoinduced electron transfer in aqueous solution of the structures shown above leads to neutral biradicals with peptide spacers. Exchange interactions were measured using time-resolved electron paramagnetic resonance (TREPR) and found to be large for the biradicals possessing two and three glycine residue spacers, These findings are compared to previous results from alkyl spaced biradicals of similar chain length.

  DOI：

  10.1021/ol0160452