2S-Hydroxy-3R-[1S-(tert-butylcarbamoyl)-2,2-dimethyl-propyl-carbamoyl]-5-methyl-hexanohydroxamic acid | 171270-43-2

• 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: 2S-Hydroxy-3R-[1S-(tert-butylcarbamoyl)-2,2-dimethyl-propyl-carbamoyl]-5-methyl-hexanohydroxamic acid
• 英文别名: (2R,3S)-N1-[(1S)-1-[[(1,1-Dimethylethyl)amino]carbonyl]-2,2-dimethylpropyl]-N4,3-dihydroxy-2-(2-methylpropyl)butanediamide；(2R,3S)-N-[(2S)-1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
• CAS: 171270-43-2
• 化学式: C₁₈H₃₅N₃O₅
• 分子量: 373.493
• InChiKey: ZAECFNDBPNBENU-FRRDWIJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  127.76
• 氢给体数：
  5.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  (R)-2-((S)-2,2-Dimethyl-5-oxo-[1,3]dioxolan-4-yl)-4-methyl-pentanoic acid (1-tert-butylcarbamoyl-2,2-dimethyl-propyl)-amide 在 羟胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 (2S,3R)-3-((R)-1-tert-Butylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-2-hydroxy-5-methyl-hexanoic acid methyl ester 、 (2S,3R)-3-((S)-1-tert-Butylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-2-hydroxy-5-methyl-hexanoic acid methyl ester 、 (2R,3S)-N⁴-((R)-1-tert-Butylcarbamoyl-2,2-dimethyl-propyl)-2,N¹-dihydroxy-3-isobutyl-succinamide 、 2S-Hydroxy-3R-[1S-(tert-butylcarbamoyl)-2,2-dimethyl-propyl-carbamoyl]-5-methyl-hexanohydroxamic acid
  参考文献：
  名称：

  Five-component synthesis of marimastat analogues

  摘要：

  The synthesis of analogues of the matrix metalloproteinase (MMP) inhibitor marimastat has been achieved in one-pot by a two step procedure involving an Ugi four-component reaction followed by hydroxylaminolysis of an acetonide. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01828-0