2'-({[(S)-1-((R)-2-Benzyloxycarbonylamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid | 195515-93-6

• 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: 2'-({[(S)-1-((R)-2-Benzyloxycarbonylamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid
• CAS: 195515-93-6
• 化学式: C₄₂H₃₉N₃O₆
• 分子量: 681.788
• InChiKey: DKCWAGIZFKRQOV-KLESUSOLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  51.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  125.04
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2'-({[(S)-1-((R)-2-Benzyloxycarbonylamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid 在 palladium dihydroxide 氢气 作用下， 以 乙醇 为溶剂， 以94%的产率得到2'-({[(S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Design, syntheses and potentiating activities against methicillin resistant Staphylococcus aureus of cyclic analogs of LY301621

  摘要：

  Previous SAR studies of the diastereomers of LY301621 suggested the importance of a beta-turn conformation for biological activity. In the present study, cyclic analogs were designed and synthesized that possess Type II and II' beta-turns. Their biological activity will be discussed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00371-5
• 作为产物：
  描述：

  2'-aminomethylbiphenyl-2-carboxylic acid 、 (2S)-1-[(2R)-3,3-diphenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以64%的产率得到2'-({[(S)-1-((R)-2-Benzyloxycarbonylamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Design, syntheses and potentiating activities against methicillin resistant Staphylococcus aureus of cyclic analogs of LY301621

  摘要：

  Previous SAR studies of the diastereomers of LY301621 suggested the importance of a beta-turn conformation for biological activity. In the present study, cyclic analogs were designed and synthesized that possess Type II and II' beta-turns. Their biological activity will be discussed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00371-5