((R)-4-{(R)-1-[(1H-Benzoimidazol-2-yl)-hydroxy-methyl]-3-phenyl-propylcarbamoyl}-4-tert-butoxycarbonylamino-butyl)-carbamic acid tert-butyl ester | 233690-65-8

• 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-[(1H-Benzoimidazol-2-yl)-hydroxy-methyl]-3-phenyl-propylcarbamoyl}-4-tert-butoxycarbonylamino-butyl)-carbamic acid tert-butyl ester
• CAS: 233690-65-8
• 化学式: C₃₂H₄₅N₅O₆
• 分子量: 595.739
• InChiKey: WURNEWSOLGVGOE-YFHSQZFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 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：
  154.67
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 ((R)-4-{(R)-1-[(1H-Benzoimidazol-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-[(1H-benzoimidazol-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-[(1H-Benzoimidazol-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