ethyl [(2S)-3-(1-methyl-1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetate | 1187388-39-1

• 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: ethyl [(2S)-3-(1-methyl-1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetate
• CAS: 1187388-39-1
• 化学式: C₂₁H₂₉N₃O₅
• 分子量: 403.478
• InChiKey: GFLSUSFXJRFGRU-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  98.66
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl [(2S)-3-(1-methyl-1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以97%的产率得到[(2S)-3-(1-methyl-1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetohydrazide
  参考文献：
  名称：

  Amino acid derivatives, X [1]: synthesis and antimicrobial evaluation of α-amino acid esters bearing a N1-protected tryptophan side chain

  摘要：

  A series of peptide derivatives conjugated with N-1-protected tryptophan residue was synthesized. The prepared compounds were tested for antimicrobial activity against four different bacterial species displaying different degrees of antibacterial activities or inhibitory actions.

  DOI：

  10.1007/s00706-008-0089-z
• 作为产物：
  描述：

  Boc-Trp-Gly-OEt 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以88%的产率得到ethyl [(2S)-3-(1-methyl-1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetate
  参考文献：
  名称：

  Amino acid derivatives, X [1]: synthesis and antimicrobial evaluation of α-amino acid esters bearing a N1-protected tryptophan side chain

  摘要：

  A series of peptide derivatives conjugated with N-1-protected tryptophan residue was synthesized. The prepared compounds were tested for antimicrobial activity against four different bacterial species displaying different degrees of antibacterial activities or inhibitory actions.

  DOI：

  10.1007/s00706-008-0089-z