JBIR-96 | 1298576-46-1

• 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: JBIR-96
• 英文别名: benzylcarbonyl-Val-D-Cys(O3H)-Thr(1)-D-Thr-bAla-(1)；(2S)-3-[[(2R,3S,6R)-6-[(1S)-1-hydroxyethyl]-2-methyl-4,7,11-trioxo-1-oxa-5,8-diazacycloundec-3-yl]amino]-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-3-oxopropane-1-sulfonic acid
• CAS: 1298576-46-1
• 化学式: C₂₇H₃₉N₅O₁₁S
• 分子量: 641.7
• InChiKey: IGQWJTOITVEYBJ-GMYCQRIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  255
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  JBIR-96 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  A Phenylacetylated Peptide, JBIR-96, Isolated from Streptomyces sp. RI051-SDHV6

  摘要：

  Searching for metabolites from Streptomyces sp. RI051-SDHV6 resulted in the discovery of a novel peptide, JBIR-96 (1). The structure of 1 was established as an N-phenylacetylated pentapeptide involving a cysteic acid and a peptide lactone structure by extensive NMR and MS analyses. In addition, the absolute configuration of 1 was established by Marfey's and modified Mosher's methods.

  DOI：

  10.1021/np200054s

文献信息

• A Phenylacetylated Peptide, JBIR-96, Isolated from <i>Streptomyces</i> sp. RI051-SDHV6
  作者：Jun-ya Ueda、Miho Izumikawa、Ikuko Kozone、Hideki Yamamura、Masayuki Hayakawa、Motoki Takagi、Kazuo Shin-ya

  DOI：10.1021/np200054s

  日期：2011.5.27

  Searching for metabolites from Streptomyces sp. RI051-SDHV6 resulted in the discovery of a novel peptide, JBIR-96 (1). The structure of 1 was established as an N-phenylacetylated pentapeptide involving a cysteic acid and a peptide lactone structure by extensive NMR and MS analyses. In addition, the absolute configuration of 1 was established by Marfey's and modified Mosher's methods.