dibenzyl 3,3'-(((4R,4'R,5S,5'S)-3,3'-((2S,2'S)-2,2'-(nonanedioylbis(azanediyl))bis(3-phenylpropanoyl))bis(5-methyl-2-oxooxazolidine-3,4-diyl-4-carbonyl))bis(azanediyl))(3S,3'S)-bis(3-phenylpropanoate) | 1373350-24-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: dibenzyl 3,3'-(((4R,4'R,5S,5'S)-3,3'-((2S,2'S)-2,2'-(nonanedioylbis(azanediyl))bis(3-phenylpropanoyl))bis(5-methyl-2-oxooxazolidine-3,4-diyl-4-carbonyl))bis(azanediyl))(3S,3'S)-bis(3-phenylpropanoate)
• CAS: 1373350-24-3
• 化学式: C₆₉H₇₄N₆O₁₄
• 分子量: 1211.38
• InChiKey: MCQNQZREAVJGGM-LDWMFJLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.63
• 重原子数：
  89.0
• 可旋转键数：
  30.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  262.22
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  dibenzyl 3,3'-(((4R,4'R,5S,5'S)-3,3'-((2S,2'S)-2,2'-(nonanedioylbis(azanediyl))bis(3-phenylpropanoyl))bis(5-methyl-2-oxooxazolidine-3,4-diyl-4-carbonyl))bis(azanediyl))(3S,3'S)-bis(3-phenylpropanoate) 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Formation of gels in the presence of metal ions

  摘要：

  A small library of stereoisomeric pseudopeptides able to make gels in different solvents has been prepared and their attitude to make gels in the presence of several metal ions was evaluated. Four benzyl esters and four carboxylic acids, all containing a moiety of azelaic acid (a long chain dicarboxylic acid) coupled with four different pseudopeptide moieties sharing the same skeleton (a phenyl group one atom apart from the oxazolidin-2-one carboxylic group), were synthesized in solution, by standard coupling reaction. The tendency of these pseudopeptides to form gels was evaluated using the inversion test of 10 mM solutions of pure compounds and of stoichiometric mixtures of pseudopeptides and metal ions. To obtain additional information on the molecular association, the gel samples were left dry in the air to form xerogels that were further analyzed using SEM and XRD. The formation of gel containing Zn(II) or Cu(II) ions gave good results in term of incorporation of the metal ions, while the presence of Cu(I), Al(III) and Mg(II) gave less satisfactory results. This outcome is a first insight in the formation of stable LMWGs formed by stoichiometric mixtures of pseudopeptides and metal ions. Further studies will be carried out to develop similar compounds of pharmacological interest.

  DOI：

  10.1007/s00726-011-0908-0
• 作为产物：
  描述：

  Boc-L-Phe-D-Oxd-OBn 在 palladium 10% on activated carbon 、 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 7.68h， 生成 dibenzyl 3,3'-(((4R,4'R,5S,5'S)-3,3'-((2S,2'S)-2,2'-(nonanedioylbis(azanediyl))bis(3-phenylpropanoyl))bis(5-methyl-2-oxooxazolidine-3,4-diyl-4-carbonyl))bis(azanediyl))(3S,3'S)-bis(3-phenylpropanoate)
  参考文献：
  名称：

  Formation of gels in the presence of metal ions

  摘要：

  A small library of stereoisomeric pseudopeptides able to make gels in different solvents has been prepared and their attitude to make gels in the presence of several metal ions was evaluated. Four benzyl esters and four carboxylic acids, all containing a moiety of azelaic acid (a long chain dicarboxylic acid) coupled with four different pseudopeptide moieties sharing the same skeleton (a phenyl group one atom apart from the oxazolidin-2-one carboxylic group), were synthesized in solution, by standard coupling reaction. The tendency of these pseudopeptides to form gels was evaluated using the inversion test of 10 mM solutions of pure compounds and of stoichiometric mixtures of pseudopeptides and metal ions. To obtain additional information on the molecular association, the gel samples were left dry in the air to form xerogels that were further analyzed using SEM and XRD. The formation of gel containing Zn(II) or Cu(II) ions gave good results in term of incorporation of the metal ions, while the presence of Cu(I), Al(III) and Mg(II) gave less satisfactory results. This outcome is a first insight in the formation of stable LMWGs formed by stoichiometric mixtures of pseudopeptides and metal ions. Further studies will be carried out to develop similar compounds of pharmacological interest.

  DOI：

  10.1007/s00726-011-0908-0