tert-butyl ((S)-3-methyl-1-(((1-((S)-3-methyl-1-oxo-1-(prop-2-yn-1-ylamino)butan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-1-oxobutan-2-yl)carbamate | 1353622-60-2

• 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: tert-butyl ((S)-3-methyl-1-(((1-((S)-3-methyl-1-oxo-1-(prop-2-yn-1-ylamino)butan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-1-oxobutan-2-yl)carbamate
• CAS: 1353622-60-2
• 化学式: C₂₁H₃₄N₆O₄
• 分子量: 434.539
• InChiKey: JFLDJELWAPBSQU-IRXDYDNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  127.24
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  tert-butyl ((S)-3-methyl-1-(((1-((S)-3-methyl-1-oxo-1-(prop-2-yn-1-ylamino)butan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-1-oxobutan-2-yl)carbamate 在 N-甲基吗啉 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 13.75h， 生成 tert-butyl ((S)-1-(((1-((S)-1-(((1-((S)-1-((2-isopentyl-5-methylhexyl)amino)-3-methyl-1-oxobutan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-3-methyl-1-oxobutan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
  参考文献：
  名称：

  Head-to-Tail Dimerization and Organogelating Properties of Click Peptidomimetics

  摘要：

  Click triazole-based ollgopeptides 1-3 were found to self-dimerize (K-dim approximate to 10-680 M-1) In a head-to-tail fashion based on H-1 variable concentration, 2D, and HID exchange NMR, VPO, CD, FT-IR studies and Gaussian 03 simulations. The dimerization constant K-dim was shown to increase with increasing number of the amino acid units. Within the same oligomeric series, the K-dim, value is strongly affected by the size of the C-terminal end group. The tripeptides 2 are also excellent organogelators of aromatic solvents.

  DOI：

  10.1021/ol2031685
• 作为产物：
  描述：

  N-(tert-butoxycarbonyl)-L-valine N'-propargylamide 在 N-甲基吗啉 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 13.75h， 生成 tert-butyl ((S)-3-methyl-1-(((1-((S)-3-methyl-1-oxo-1-(prop-2-yn-1-ylamino)butan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-1-oxobutan-2-yl)carbamate
  参考文献：
  名称：

  Head-to-Tail Dimerization and Organogelating Properties of Click Peptidomimetics

  摘要：

  Click triazole-based ollgopeptides 1-3 were found to self-dimerize (K-dim approximate to 10-680 M-1) In a head-to-tail fashion based on H-1 variable concentration, 2D, and HID exchange NMR, VPO, CD, FT-IR studies and Gaussian 03 simulations. The dimerization constant K-dim was shown to increase with increasing number of the amino acid units. Within the same oligomeric series, the K-dim, value is strongly affected by the size of the C-terminal end group. The tripeptides 2 are also excellent organogelators of aromatic solvents.

  DOI：

  10.1021/ol2031685

文献信息

• A Platinum(II) Terpyridine Metallogel with an<scp>L</scp>-Valine-Modified Alkynyl Ligand: Interplay of Pt⋅⋅⋅Pt, π-π and Hydrogen-Bonding Interactions
  作者：Charlotte Po、Zhihai Ke、Anthony Yiu-Yan Tam、Hak-Fun Chow、Vivian Wing-Wah Yam

  DOI：10.1002/chem.201302702

  日期：2013.11.11

  observed, which is indicative of the involvement of Pt⋅⋅⋅Pt interactions. Through the concentration‐ and temperature‐dependent UV/Vis absorption, emission, circular dichroism, and 1H NMR studies, the contribution of hydrogen bonding, Pt⋅⋅⋅Pt and π–π stacking interactions as driving forces for gelation have been established, and the importance of maintaining a delicate balance between different intermolecular

  合成了一系列具有L-缬氨酸修饰的炔基配体的铂（II）吡啶吡啶配合物。具有炔基上未取代的叔吡啶和一个缬氨酸单元的复合物显示能够形成凝胶，这与相应的有机对应物的凝胶化性质形成鲜明对比。在溶胶-凝胶转变过程中，观察到从黄色到红色的急剧颜色变化，这表明参与了Pt⋅⋅⋅Pt相互作用。通过浓度和温度相关的UV / Vis吸收，发射，圆二色性和1 H NMR研究，氢键的贡献Pt⋅⋅⋅已经建立了Pt和π-π堆积相互作用作为胶凝的驱动力，并且还说明了保持不同分子间力之间微妙平衡的重要性。