2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanethioic S-acid | 682353-82-8

• 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: 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanethioic S-acid
• CAS: 682353-82-8
• 化学式: C₁₀H₁₈N₂O₄S
• 分子量: 262.33
• InChiKey: DHPFNONCQNWEQY-LURJTMIESA-N

物化性质

• 沸点：
  460.3±30.0 °C(Predicted)
• 密度：
  1.174±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  84.5
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanethioic S-acid 、 azidomethyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranoside 在 2,6-二甲基吡啶 作用下， 以 氯仿 为溶剂， 以83%的产率得到[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]methylsulfanyl]oxan-2-yl]methyl acetate
  参考文献：
  名称：

  Synthesis of Novel S-Neoglycopeptides from Glycosylthiomethyl Derivatives

  摘要：

  Reaction of glycosylthiomethyl azides with amino acid and peptide derivatives containing aspartate and glutamate thio acids gave the corresponding glycosylthiomethyl amides in excellent yields. Another type of neoglycopeptides was obtained via reaction of glycosylthiomethyl bromide with cysteine and homocysteine containing peptide derivatives, thus affording the corresponding S-(glycosylthiomethyl) peptides.

  DOI：

  10.1021/ol036186z
• 作为产物：
  描述：

  1-[[N-[(1,1-二甲基乙氧基)羰基]-L-丙氨酰甘氨酰]氧基]-2,5-吡咯烷二酮 在 硫化氢 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanethioic S-acid
  参考文献：
  名称：

  Synthesis of Novel S-Neoglycopeptides from Glycosylthiomethyl Derivatives

  摘要：

  Reaction of glycosylthiomethyl azides with amino acid and peptide derivatives containing aspartate and glutamate thio acids gave the corresponding glycosylthiomethyl amides in excellent yields. Another type of neoglycopeptides was obtained via reaction of glycosylthiomethyl bromide with cysteine and homocysteine containing peptide derivatives, thus affording the corresponding S-(glycosylthiomethyl) peptides.

  DOI：

  10.1021/ol036186z