Boc-Gly-N(For(1))Thr(1)-Gly-N(For(2))Thr(2)-Gly-N(For(3))Thr(3)-Gly-N(For(4))Thr(4)-OBn | 725267-89-0

• 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: Boc-Gly-N(For(1))Thr(1)-Gly-N(For(2))Thr(2)-Gly-N(For(3))Thr(3)-Gly-N(For(4))Thr(4)-OBn
• 英文别名: benzyl (4S,5R)-5-methyl-3-[2-[[(4S,5R)-5-methyl-3-[2-[[(4S,5R)-5-methyl-3-[2-[[(4S,5R)-5-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetyl]-2-oxo-1,3-oxazolidine-4-carboxylate
• CAS: 725267-89-0
• 化学式: C₄₀H₄₈N₈O₁₉
• 分子量: 944.863
• InChiKey: VAZFKGSLDGKKBZ-MIYMREMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  67
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  338
• 氢给体数：
  4
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  Boc-Gly-N(For(1))Thr(1)-Gly-N(For(2))Thr(2)-Gly-N(For(3))Thr(3)-Gly-N(For(4))Thr(4)-OBn 在 10% palladium on active carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到
  参考文献：
  名称：

  Stabilizing effects in oxazolidin-2-ones-containing pseudopeptides

  摘要：

  Novel homo-oligomers of the Gly-L-Oxd moiety have been prepared and their preferential conformations analyzed by IR, H-1 NMR and CD spectroscopy, with the aim of determining whether these molecules were able to fold in ordered structures. In these homo-oligomers two stabilizing effects are active: besides the trans conformation of the imide group, the formation of C=(OH)-H-...-N hydrogen bonds takes place and is very sensitive to the pseudopeptide size. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.03.033
• 作为产物：
  描述：

  benzyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 5.17h， 生成 Boc-Gly-N(For(1))Thr(1)-Gly-N(For(2))Thr(2)-Gly-N(For(3))Thr(3)-Gly-N(For(4))Thr(4)-OBn
  参考文献：
  名称：

  Stabilizing effects in oxazolidin-2-ones-containing pseudopeptides

  摘要：

  Novel homo-oligomers of the Gly-L-Oxd moiety have been prepared and their preferential conformations analyzed by IR, H-1 NMR and CD spectroscopy, with the aim of determining whether these molecules were able to fold in ordered structures. In these homo-oligomers two stabilizing effects are active: besides the trans conformation of the imide group, the formation of C=(OH)-H-...-N hydrogen bonds takes place and is very sensitive to the pseudopeptide size. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.03.033

文献信息

• Stabilizing effects in oxazolidin-2-ones-containing pseudopeptides
  作者：Gianluigi Luppi、Chiara Soffrè、Claudia Tomasini

  DOI：10.1016/j.tetasy.2004.03.033

  日期：2004.5

  Novel homo-oligomers of the Gly-L-Oxd moiety have been prepared and their preferential conformations analyzed by IR, H-1 NMR and CD spectroscopy, with the aim of determining whether these molecules were able to fold in ordered structures. In these homo-oligomers two stabilizing effects are active: besides the trans conformation of the imide group, the formation of C=(OH)-H-...-N hydrogen bonds takes place and is very sensitive to the pseudopeptide size. (C) 2004 Elsevier Ltd. All rights reserved.