aeruginazole A | 1237055-33-2

• 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: aeruginazole A
• 英文别名: 2-[(4R,11R,14S,30S,33S,36S)-33-benzyl-11-[(4-hydroxyphenyl)methyl]-4-(2-methylpropyl)-2,9,12,19,22,25,28,31,34-nonaoxo-30,36-di(propan-2-yl)-6,16,38-trithia-3,10,13,20,23,26,29,32,35,40,41,42-dodecazatetracyclo[35.2.1.15,8.115,18]dotetraconta-1(39),5(42),7,15(41),17,37(40)-hexaen-14-yl]acetamide
• CAS: 1237055-33-2
• 化学式: C₅₃H₆₅N₁₃O₁₁S₃
• 分子量: 1156.38
• InChiKey: QHNWFWGAYHZBIR-DWEXPOFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  80
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  449
• 氢给体数：
  11
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  aeruginazole A 、 N-A-(2,4-二硝基-5-氟苯基)-L-丙氨酸 在 盐酸 、 水 、 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 反应 22.0h， 生成 DAA-D-Tyr-OH 、 L-Phe-L-FDAA 、 (S)-2-(5-((S)-1-amino-1-oxopropan-2-ylamino)-2,4-dinitrophenylamino)-3-methylbutanoic acid
  参考文献：
  名称：

  Aeruginazole A, a Novel Thiazole-Containing Cyclopeptide from the Cyanobacterium Microcystis sp.

  摘要：

  A novel thiazole-containing cyclic peptide, aeruginazole A (1), was isolated from the cyanobacterium Microcystis sp. strain (IL-323), which was collected from a water reservoir near Kfar-Yehoshua, Valley of Armageddon, Israel. The planar structure of aeruginazole A was established using homonuclear and inverse-heteronuclear 2D NMR techniques, as well as high-resolution mass spectrometry. The absolute configuration of the asymmetric centers was determined using Marfey's method. Aeruginazole A potently inhibited Bacillus subtilis.

  DOI：

  10.1021/ol1014015

文献信息

• Aeruginazole A, a Novel Thiazole-Containing Cyclopeptide from the Cyanobacterium <i>Microcystis</i> sp.
  作者：Avi Raveh、Shmuel Carmeli

  DOI：10.1021/ol1014015

  日期：2010.8.6

  A novel thiazole-containing cyclic peptide, aeruginazole A (1), was isolated from the cyanobacterium Microcystis sp. strain (IL-323), which was collected from a water reservoir near Kfar-Yehoshua, Valley of Armageddon, Israel. The planar structure of aeruginazole A was established using homonuclear and inverse-heteronuclear 2D NMR techniques, as well as high-resolution mass spectrometry. The absolute configuration of the asymmetric centers was determined using Marfey's method. Aeruginazole A potently inhibited Bacillus subtilis.