tetraethyl (2S,6S,9S,13S,17S)-9-((tert-butoxycarbonyl)amino)-6,13-bis(((S)-1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoyl)-4,8,11,15-tetraoxo-3,7,12,16-tetraazaoctadecane-1,2,17,18-tetracarboxylate | 1204752-73-7

• 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: tetraethyl (2S,6S,9S,13S,17S)-9-((tert-butoxycarbonyl)amino)-6,13-bis(((S)-1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoyl)-4,8,11,15-tetraoxo-3,7,12,16-tetraazaoctadecane-1,2,17,18-tetracarboxylate
• CAS: 1204752-73-7
• 化学式: C₄₉H₇₇N₇O₂₄
• 分子量: 1148.18
• InChiKey: XZVAUDDCZORLFV-MRNVWEPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.98
• 重原子数：
  80.0
• 可旋转键数：
  36.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  423.33
• 氢给体数：
  7.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  tetraethyl (2S,6S,9S,13S,17S)-9-((tert-butoxycarbonyl)amino)-6,13-bis(((S)-1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoyl)-4,8,11,15-tetraoxo-3,7,12,16-tetraazaoctadecane-1,2,17,18-tetracarboxylate 在 三氟乙酸 、 碳酸氢钠 作用下， 生成 tetraethyl (2S,6S,9S,13S,17S)-9-amino-6,13-bis(((S)-1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoyl)-4,8,11,15-tetraoxo-3,7,12,16-tetraazaoctadecane-1,2,17,18-tetracarboxylate
  参考文献：
  名称：

  Organogels from Different Self-Assembling New Dendritic Peptides: Morphology, Reheology, and Structural Investigations

  摘要：

  Three new peptide based dendrimers with different generations were synthesized, purified, and characterized. Each of these dendrimers Form efficient organogels under Suitable conditions and these gels were characterized by field emission scanning electron microscopy (FE-SEM), high resolution transmission electron microscopy (HR-TEM), atomic force microscopy (AFM), Fourier transformed infrared (FT-IR) spectroscopy, differential scanning caloritrietery (DSC) and rheology. It has been observed that gel forming propensity increases from first to second generation dendrimer and it decreases from second to third generation. The hydrogen bonding interaction is the main driving force for the formation of aggregated structure that leads to the formation of a fibrillar network, responsible for gelation. The morphology is network type consisting of taped or twisted fibrils spanning throughout the space. DSC measurements show the thermorevsible first-order phase transition. Rheological Studies indicate that flow behavior and segmental motion of these gels are different for different peptidic gels, obtained from various generations of dendritic peptides.

  DOI：

  10.1021/jp908011v
• 作为产物：
  描述：

  H-Asp(1)-Asp(OEt)-OEt.N(1)Asp(OEt)-OEt 、 Boc-L-天冬氨酸 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成 tetraethyl (2S,6S,9S,13S,17S)-9-((tert-butoxycarbonyl)amino)-6,13-bis(((S)-1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoyl)-4,8,11,15-tetraoxo-3,7,12,16-tetraazaoctadecane-1,2,17,18-tetracarboxylate
  参考文献：
  名称：

  Organogels from Different Self-Assembling New Dendritic Peptides: Morphology, Reheology, and Structural Investigations

  摘要：

  Three new peptide based dendrimers with different generations were synthesized, purified, and characterized. Each of these dendrimers Form efficient organogels under Suitable conditions and these gels were characterized by field emission scanning electron microscopy (FE-SEM), high resolution transmission electron microscopy (HR-TEM), atomic force microscopy (AFM), Fourier transformed infrared (FT-IR) spectroscopy, differential scanning caloritrietery (DSC) and rheology. It has been observed that gel forming propensity increases from first to second generation dendrimer and it decreases from second to third generation. The hydrogen bonding interaction is the main driving force for the formation of aggregated structure that leads to the formation of a fibrillar network, responsible for gelation. The morphology is network type consisting of taped or twisted fibrils spanning throughout the space. DSC measurements show the thermorevsible first-order phase transition. Rheological Studies indicate that flow behavior and segmental motion of these gels are different for different peptidic gels, obtained from various generations of dendritic peptides.

  DOI：

  10.1021/jp908011v