N-Ac-Δ(p-FPhe)-S-Pro | 465534-65-0

• 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: N-Ac-Δ(p-FPhe)-S-Pro
• 英文别名: (2S)-1-[2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
• CAS: 465534-65-0
• 化学式: C₁₆H₁₇FN₂O₄
• 分子量: 320.32
• InChiKey: CYZKEQKTXMICME-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-Ac-Δ(p-FPhe)-S-Pro 在 palladium on activated charcoal 氢气 、 sodium methylate 、 magnesium chloride 作用下， 以 乙醇 为溶剂， 生成 (S)-1-[2-Acetylamino-3-(4-fluoro-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Complexes of Ca2+ and Mg2+ withN-acetyl-α,β-dehydrodipeptides: the state in an alcoholic solution and its relationship with asymmetric induction upon diastereoselective hydrogenation

  摘要：

  In an alcoholic solution, N-acetyl-alpha,beta-dehydrodipeptides interact with Ca2+ and Mg2+ ions to form complex particles containing several dehydrodipeptide molecules per metal ion. The composition of these particles and steric interactions in them determine the acidity of the carboxyl groups and the degree of asymmetric induction upon diastereoselective hydrogenation.

  DOI：

  10.1007/bf02494633
• 作为产物：
  描述：

  对氟苯甲醛 生成 N-Ac-Δ(p-FPhe)-S-Pro
  参考文献：
  名称：

  Complexes of Ca2+ and Mg2+ withN-acetyl-α,β-dehydrodipeptides: the state in an alcoholic solution and its relationship with asymmetric induction upon diastereoselective hydrogenation

  摘要：

  In an alcoholic solution, N-acetyl-alpha,beta-dehydrodipeptides interact with Ca2+ and Mg2+ ions to form complex particles containing several dehydrodipeptide molecules per metal ion. The composition of these particles and steric interactions in them determine the acidity of the carboxyl groups and the degree of asymmetric induction upon diastereoselective hydrogenation.

  DOI：

  10.1007/bf02494633

文献信息

• Complexes of Ca2+ and Mg2+ withN-acetyl-α,β-dehydrodipeptides: the state in an alcoholic solution and its relationship with asymmetric induction upon diastereoselective hydrogenation
  作者：I. N. Lisichkina、T. A. Larina、A. S. Peregudov、T. Yu. Vasil'eva、V. M. Belikov

  DOI：10.1007/bf02494633

  日期：1999.5

  In an alcoholic solution, N-acetyl-alpha,beta-dehydrodipeptides interact with Ca2+ and Mg2+ ions to form complex particles containing several dehydrodipeptide molecules per metal ion. The composition of these particles and steric interactions in them determine the acidity of the carboxyl groups and the degree of asymmetric induction upon diastereoselective hydrogenation.