N-Hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-N-(4-phenyl-butyl)-acetamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: N-Hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-N-(4-phenyl-butyl)-acetamide
• 英文别名: N-hydroxy-2-[[2-[(4-phenoxyphenyl)carbamoyl-(3-phenylpropyl)amino]acetyl]-(4-phenylbutyl)amino]acetamide
• 化学式: C₃₆H₄₀N₄O₅
• 分子量: 608.737
• InChiKey: UFTKNLSTJLMVEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯基-4-丁胺 、 3-苯基-1-丙胺 、 4-苯氧基苯基异氰酸酯 、 溴乙酸 生成 N-Hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-N-(4-phenyl-butyl)-acetamide
  参考文献：
  名称：

  Design, combinatorial chemical synthesis and in vitro characterization of novel urea based gelatinase inhibitors

  摘要：

  A novel series of hydroxamate/urea-based inhibitors of gelatinases has been discovered via solid-phase combinatorial chemistry. SAR of P-1', P-2', and P-3' has been exploited and structures different from traditional succinate-based MMP inhibitors have been found. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00498-9