polyoxypeptin

• 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: polyoxypeptin
• 英文别名: (2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]oxan-2-yl]-2-hydroxy-N-[(1R,6R,7S,10S,13S,14S,21R,24S,29R)-6,9,23,29-tetrahydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide
• 化学式: C₄₅H₇₆N₈O₁₅
• 分子量: 969.143
• InChiKey: IHVXCLXQTOSBMJ-FINQWCIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  312
• 氢给体数：
  9
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  polyoxypeptin 在 盐酸 、 水 作用下， 反应 20.0h， 以12.1 mg的产率得到草酸6-苯并噻唑基(6CI)
  参考文献：
  名称：

  Polyoxypeptin isolated from Streptomyces: A bioactive cyclic depsipeptide containing the novel amino acid 3-hydroxy-3-methylproline

  摘要：

  Polyoxypeptin, a potent inducer of apoptosis in human pancreatic carcinoma cells, was isolated from an ethyl acetate extract of a Streptomyces culture broth. Structural determination by 2D-NMR and X-ray crystallographic analysis revealed that it is a novel cyclic hexadepsipeptide containing five hydroxylated amino acids. The unusual and hitherto unreported amino acid 3-hydroxy-3-methylproline was one of them. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00031-8

文献信息

• Polyoxypeptin isolated from Streptomyces: A bioactive cyclic depsipeptide containing the novel amino acid 3-hydroxy-3-methylproline
  作者：Kazuo Umezawa、Kumi Nakazawa、Toshio Uemura、Yoko Ikeda、Shinichi Kondo、Hiroshi Naganawa、Naoko Kinoshita、Hideki Hashizume、Masa Hamada、Tomio Takeuchi、Shigeru Ohba

  DOI：10.1016/s0040-4039(98)00031-8

  日期：1998.3

  Polyoxypeptin, a potent inducer of apoptosis in human pancreatic carcinoma cells, was isolated from an ethyl acetate extract of a Streptomyces culture broth. Structural determination by 2D-NMR and X-ray crystallographic analysis revealed that it is a novel cyclic hexadepsipeptide containing five hydroxylated amino acids. The unusual and hitherto unreported amino acid 3-hydroxy-3-methylproline was one of them. (C) 1998 Elsevier Science Ltd. All rights reserved.