Boc-His(Bzl)-Ala-OBzl | 96523-67-0

• 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: Boc-His(Bzl)-Ala-OBzl
• CAS: 96523-67-0
• 化学式: C₂₈H₃₄N₄O₅
• 分子量: 506.602
• InChiKey: FGVGFGIOUCRCML-RDPSFJRHSA-N

物化性质

• 沸点：
  725.5±60.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  111.55
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Boc-His(Bzl)-Ala-OBzl 在 三氟乙酸 作用下， 生成 His(Bzl)-Ala-OBzl
  参考文献：
  名称：

  Synthesis of D-Ala--D-Ala Analogues with Postulated Antibacterial Activity.

  摘要：

  The syntheses of the L,L- and D,D-stereoisomers of N-phenoxyacetyl-X-alanine in which X=His, Tyr, or Lys, are described. The antibacterial activity of some of the peptide derivatives and their synthetic intermediates have been examined. Some of the intermediates exhibited moderate activity against viridans streptococci, enterococci and Streptococcus agalactiae. None of the compounds were active against beta-lactamase producing bacteria or served as beta-lactamase inhibitors.

  DOI：

  10.3891/acta.chem.scand.38b-0647
• 作为产物：
  描述：

  L-丙氨酸苄酯对甲苯磺酸盐 、 NAlpha-叔丁氧羰基-Nim-苄基-L-组氨酸 在 N-乙基吗啉 、 N-羟基丁二酰亚胺 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以65%的产率得到Boc-His(Bzl)-Ala-OBzl
  参考文献：
  名称：

  Synthesis of D-Ala--D-Ala Analogues with Postulated Antibacterial Activity.

  摘要：

  The syntheses of the L,L- and D,D-stereoisomers of N-phenoxyacetyl-X-alanine in which X=His, Tyr, or Lys, are described. The antibacterial activity of some of the peptide derivatives and their synthetic intermediates have been examined. Some of the intermediates exhibited moderate activity against viridans streptococci, enterococci and Streptococcus agalactiae. None of the compounds were active against beta-lactamase producing bacteria or served as beta-lactamase inhibitors.

  DOI：

  10.3891/acta.chem.scand.38b-0647