methyl [[(2S)-3-(1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetylamino]acetate | 1155418-54-4

• 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: methyl [[(2S)-3-(1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetylamino]acetate
• 英文别名: Methyl {[(2s)-3-(1h-indol-3-yl)-2-(t-butoxycarbonylamino)-propanoylamino]acetylamino}acetate；methyl 2-[[2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
• CAS: 1155418-54-4
• 化学式: C₂₁H₂₈N₄O₆
• 分子量: 432.477
• InChiKey: BNEMQZDBMAQLNP-INIZCTEOSA-N

物化性质

• 沸点：
  740.3±60.0 °C(predicted)
• 密度：
  1.255±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl [[(2S)-3-(1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetylamino]acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 methyl 2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate
  参考文献：
  名称：

  Amino acid derivatives, IX [1]: synthesis and antimicrobial evaluation of α-amino acid esters bearing a tryptophane side chain

  摘要：

  A series of peptide and dipeptide derivatives conjugated with a tryptophane residue were 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/s00706-008-0952-y
• 作为产物：
  描述：

  甘氨酸甲酯盐酸盐 、 Boc-(L)-Trp-Gly-OH 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 以70%的产率得到methyl [[(2S)-3-(1H-indol-3-yl)-2-(t-butoxycarbonylamino)propanoylamino]acetylamino]acetate
  参考文献：
  名称：

  Amino acid derivatives, IX [1]: synthesis and antimicrobial evaluation of α-amino acid esters bearing a tryptophane side chain

  摘要：

  A series of peptide and dipeptide derivatives conjugated with a tryptophane residue were 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/s00706-008-0952-y