N-acetyl-α,β-dehydrophenylalanyl-(S)-leucine | 65941-27-7

• 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-acetyl-α,β-dehydrophenylalanyl-(S)-leucine
• 英文别名: Ac-ΔPhe-(S)-Leu-OH；(2S)-2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
• CAS: 65941-27-7
• 化学式: C₁₇H₂₂N₂O₄
• 分子量: 318.373
• InChiKey: XJYDCXKKCZHEEP-LTBFUDJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-acetyl-α,β-dehydrophenylalanyl-(S)-leucine 生成 Ac-(S)-Phe-(S)-Leu-OH
  参考文献：
  名称：

  YAMAGISHI, TAKAMICHI;IKEDA, SATORU;YATAGAI, MASANOBU;YAMAGUCHI, MOTOWO;HI+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1988) N 7, C. 1787-1790

  摘要：

  DOI：

文献信息

• ——
  作者：I. N. Lisichkina、A. G. Ivanova、A. S. Peregudov、V. M. Belikov

  DOI：10.1023/a:1011397803696

  日期：——

  The peptide protons in N-acetyl -alpha,beta -dehydrodipeptides (DHDP) dissociate in aqueous methanol in the presence of magnesium salts upon the addition of alkali, which favors the diastereoselectivities of their hydrogenation over Pd/C. By contrast, the N-H bonds of the N-acetyl groups in DHDP seem not to dissociate under these conditions. The dissociation of the peptide N-H bonds in strongly alkaline solutions was studied by F-19 NMR spectroscopy for model compounds containing the 4-FC6H4 fragment.
• Yamagishi, Takamichi; Ikeda, Satoru; Yatagai, Masanobu, Journal of the Chemical Society. Perkin transactions I, 1988, p. 1787 - 1790
  作者：Yamagishi, Takamichi、Ikeda, Satoru、Yatagai, Masanobu、Yamaguchi, Motowo、Hida, Mitsuhiko

  DOI：——

  日期：——
• YAMAGISHI, TAKAMICHI;IKEDA, SATORU;YATAGAI, MASANOBU;YAMAGUCHI, MOTOWO;HI+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1988) N 7, C. 1787-1790
  作者：YAMAGISHI, TAKAMICHI、IKEDA, SATORU、YATAGAI, MASANOBU、YAMAGUCHI, MOTOWO、HI+

  DOI：——

  日期：——