{(S)-3-[(R)-2-((S)-1-Benzyloxycarbamoyl-ethyl)-4-methyl-pentanoylamino]-2-oxo-azepan-1-yl}-acetic acid methyl ester | 183665-92-1

• 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: {(S)-3-[(R)-2-((S)-1-Benzyloxycarbamoyl-ethyl)-4-methyl-pentanoylamino]-2-oxo-azepan-1-yl}-acetic acid methyl ester
• CAS: 183665-92-1
• 化学式: C₂₅H₃₇N₃O₆
• 分子量: 475.585
• InChiKey: UOKCOVGINCEONV-TYPHKJRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  34.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  114.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  {(S)-3-[(R)-2-((S)-1-Benzyloxycarbamoyl-ethyl)-4-methyl-pentanoylamino]-2-oxo-azepan-1-yl}-acetic acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 生成
  参考文献：
  名称：

  Design and synthesis of conformationally-constrained MMP inhibitors

  摘要：

  A novel series of conformationally constrained matrix metalloprotease inhibitors was identified. The potencies observed for these inhibitors were highly dependent upon the substitution pattern on the caprolactam ring as well as the succinate moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00370-9
• 作为产物：
  描述：

  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 、 三氟乙酸 作用下， 生成 {(S)-3-[(R)-2-((S)-1-Benzyloxycarbamoyl-ethyl)-4-methyl-pentanoylamino]-2-oxo-azepan-1-yl}-acetic acid methyl ester
  参考文献：
  名称：

  Design and synthesis of conformationally-constrained MMP inhibitors

  摘要：

  A novel series of conformationally constrained matrix metalloprotease inhibitors was identified. The potencies observed for these inhibitors were highly dependent upon the substitution pattern on the caprolactam ring as well as the succinate moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00370-9