tert-butyl ((2S)-1-((tert-butyldimethylsilyl)oxy)-1-cyano-5-(2-nitroguanidino)pentan-2-yl)carbamate | 192138-67-3

• 分子结构分类: 有机化合物
• 英文名称: tert-butyl ((2S)-1-((tert-butyldimethylsilyl)oxy)-1-cyano-5-(2-nitroguanidino)pentan-2-yl)carbamate
• CAS: 192138-67-3
• 化学式: C₁₈H₃₆N₆O₅Si
• 分子量: 444.607
• InChiKey: HNQUWRGOPQAKLS-LSLKUGRBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  164.9
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl ((2S)-1-((tert-butyldimethylsilyl)oxy)-1-cyano-5-(2-nitroguanidino)pentan-2-yl)carbamate 在 硫化氢 、 溶剂黄146 、 三乙胺 、 碘甲烷 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  RATIONAL DESIGN, SYNTHESIS, AND SERINE PROTEASE INHIBITORY ACTIVITY OF NOVEL P1-ARGININOYL HETEROCYCLES

  摘要：

  Peptidomimetic derivatives featuring a P-1-argininoyl heterocycle were designed. The preparation of two key building blocks containing benzoxazole or benzimidazole rings and their incorporation into thrombin and factor Xa specific sequences is described. The serine protease inhibitory activity of these targets was evaluated. Molecular modeling of two representative structures is presented. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00227-8
• 作为产物：
  描述：

  N-α-Boc-argininal 在 咪唑 、 potassium hydrogencarbonate 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl ((2S)-1-((tert-butyldimethylsilyl)oxy)-1-cyano-5-(2-nitroguanidino)pentan-2-yl)carbamate
  参考文献：
  名称：

  RATIONAL DESIGN, SYNTHESIS, AND SERINE PROTEASE INHIBITORY ACTIVITY OF NOVEL P1-ARGININOYL HETEROCYCLES

  摘要：

  Peptidomimetic derivatives featuring a P-1-argininoyl heterocycle were designed. The preparation of two key building blocks containing benzoxazole or benzimidazole rings and their incorporation into thrombin and factor Xa specific sequences is described. The serine protease inhibitory activity of these targets was evaluated. Molecular modeling of two representative structures is presented. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00227-8