{(R)-4-[(R)-1-(Benzooxazol-2-yl-hydroxy-methyl)-3-phenyl-propylcarbamoyl]-4-tert-butoxycarbonylamino-butyl}-carbamic acid tert-butyl ester | 233690-51-2

• 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: {(R)-4-[(R)-1-(Benzooxazol-2-yl-hydroxy-methyl)-3-phenyl-propylcarbamoyl]-4-tert-butoxycarbonylamino-butyl}-carbamic acid tert-butyl ester
• CAS: 233690-51-2
• 化学式: C₃₂H₄₄N₄O₇
• 分子量: 596.724
• InChiKey: WGOCWVCZMDOQFA-LBHOTPKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  43.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  152.02
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 {(R)-4-[(R)-1-(Benzooxazol-2-yl-hydroxy-methyl)-3-phenyl-propylcarbamoyl]-4-tert-butoxycarbonylamino-butyl}-carbamic acid tert-butyl ester 以 二氯甲烷 为溶剂， 生成 (R)-2,5-Diamino-pentanoic acid [(R)-1-(benzooxazol-2-yl-hydroxy-methyl)-3-phenyl-propyl]-amide; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Peptidomimetics of Efflux Pump Inhibitors Potentiate the Activity of Levofloxacin in Pseudomonas aeruginosa

  摘要：

  Several classes of peptidomimetics of the efflux pump inhibitor D-ornithine-D-homophenylalanine-3-aminoquinoline (MC-02,595) have been prepared and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin in Pseudomonas aeruginosa. A number of the new analogues were as active or more active than the lead. demonstrating that a peptide backbone is not essential for activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00006-9
• 作为产物：
  描述：

  (3R)-N-tert-Butoxycarbonyl-5-phenyl-3-amino-2-hydroxypentanonitrile 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 、 乙酰氯 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 生成 {(R)-4-[(R)-1-(Benzooxazol-2-yl-hydroxy-methyl)-3-phenyl-propylcarbamoyl]-4-tert-butoxycarbonylamino-butyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Peptidomimetics of Efflux Pump Inhibitors Potentiate the Activity of Levofloxacin in Pseudomonas aeruginosa

  摘要：

  Several classes of peptidomimetics of the efflux pump inhibitor D-ornithine-D-homophenylalanine-3-aminoquinoline (MC-02,595) have been prepared and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin in Pseudomonas aeruginosa. A number of the new analogues were as active or more active than the lead. demonstrating that a peptide backbone is not essential for activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00006-9