(3S)-3-Hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyl-1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolyl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-proline methyl ester | 1221974-11-3

• 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: (3S)-3-Hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyl-1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolyl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-proline methyl ester
• 英文别名: methyl (2R,3S)-3-hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyl-3-phenylpropanoyl)amino]methyl]-1,2-oxazol-3-yl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxopyrrolidine-2-carboxylate
• CAS: 1221974-11-3
• 化学式: C₂₉H₄₁N₃O₈
• 分子量: 559.66
• InChiKey: APSPTZYOANYILM-OEJBOCFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  40
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  methyl (3R,7S,7aR)-3-tert-butyl-7-hydroxy-7-[5-[5-[[(3-hydroxy-2,2-dimethyl-3-phenylpropanoyl)amino]methyl]-1,2-oxazol-3-yl]pentyl]-6,6-dimethyl-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate 在 1,3-丙二硫醇 、 盐酸 作用下， 以 2,2,2-三氟乙醇 、 水 为溶剂， 反应 4.0h， 以70%的产率得到(3S)-3-Hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyl-1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolyl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-proline methyl ester
  参考文献：
  名称：

  Oxazolomycins: Natural product lead structures for novel antibacterials by click fragment conjugation

  摘要：

  Conjugation of amide and lactam subunits by a 'Click' type approach provides access to structural mimics of the oxazolomycin series of natural products, some of which exhibit antibacterial activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.066

文献信息

• Oxazolomycins: Natural product lead structures for novel antibacterials by click fragment conjugation
  作者：Claire L. Bagwell、Mark G. Moloney、Muhammad Yaqoob

  DOI：10.1016/j.bmcl.2010.02.066

  日期：2010.4

  Conjugation of amide and lactam subunits by a 'Click' type approach provides access to structural mimics of the oxazolomycin series of natural products, some of which exhibit antibacterial activity. (C) 2010 Elsevier Ltd. All rights reserved.