methyl (2S)-3-[2-[4-[5-[5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]-1,3-benzoxazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | 1071443-46-3

• 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-[2-[4-[5-[5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]-1,3-benzoxazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 1071443-46-3
• 化学式: C₄₂H₄₄N₄O₁₀S
• 分子量: 796.898
• InChiKey: INLUESHTOJYLQI-KYJUHHDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  57
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  210
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  在 lead(IV) acetate 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 以0.14 g的产率得到methyl (2S)-3-[2-[4-[5-[5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]-1,3-benzoxazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  参考文献：
  名称：

  Synthesis and photophysical characterization of new fluorescent bis-amino acids bearing a heterocyclic bridge containing benzoxazole and thiophene

  摘要：

  A series of new bis-alanine derivatives bearing (oligo)thiophene and benzoxazole units as the hetero-aromatic bridge were synthesized in moderate to good yields. The photophysical characterization of these bis-amino acids was performed by UV-vis absorption and fluorescence emission studies and revealed that the compounds displayed exceptionally high fluorescence quantum yields, making them good candidates for application as fluorescent probes when incorporated into peptides, as well as peptide conformation-restricting and cross-linking elements. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.096