(S)-1-{(R)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-amino)-4-methyl-pentanoyloxy]-3-phenyl-propionyl}-piperidine-2-carboxylic acid (R)-1-benzyloxycarbonyl-ethyl ester | 187851-83-8

• 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: (S)-1-{(R)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-amino)-4-methyl-pentanoyloxy]-3-phenyl-propionyl}-piperidine-2-carboxylic acid (R)-1-benzyloxycarbonyl-ethyl ester
• CAS: 187851-83-8
• 化学式: C₃₇H₅₀N₂O₉
• 分子量: 666.812
• InChiKey: HUFQIPSUKLPUEV-GDZAYFCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.48
• 重原子数：
  48.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  128.75
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (S)-1-{(R)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-amino)-4-methyl-pentanoyloxy]-3-phenyl-propionyl}-piperidine-2-carboxylic acid (R)-1-benzyloxycarbonyl-ethyl ester 在 10% palladium on active carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Generation of a small library of cyclodepsipeptide PF1022A analogues using a cyclization-Cleavage method with oxime resin

  摘要：

  N-Methyloctadepsipeptides attached to an oxime resin were cyclized by heating them in refluxing ethyl acetate for 2 days to give cyclodepsipeptide PF1022A analogues. By using this method, we generated a small library of PF 1022A analogues (2), several of which possessed anthelmintic activity, based on an in vitro assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00748-x
• 作为产物：
  描述：

  N-Boc-L-哌啶-2-羧酸 在 4-二甲氨基吡啶 、 三苯基膦 、 三氟乙酸 、 N,N'-二异丙基碳二亚胺 、 偶氮二甲酸二乙酯 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 18.5h， 生成 (S)-1-{(R)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-amino)-4-methyl-pentanoyloxy]-3-phenyl-propionyl}-piperidine-2-carboxylic acid (R)-1-benzyloxycarbonyl-ethyl ester
  参考文献：
  名称：

  Generation of a small library of cyclodepsipeptide PF1022A analogues using a cyclization-Cleavage method with oxime resin

  摘要：

  N-Methyloctadepsipeptides attached to an oxime resin were cyclized by heating them in refluxing ethyl acetate for 2 days to give cyclodepsipeptide PF1022A analogues. By using this method, we generated a small library of PF 1022A analogues (2), several of which possessed anthelmintic activity, based on an in vitro assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00748-x