| 199729-94-7

• 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
• CAS: 199729-94-7
• 化学式: C₁₇H₂₄N₆O₈
• 分子量: 440.413
• InChiKey: OXONHQJQWNZYJQ-CABZTGNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  31.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  233.82
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  (2S)-N-[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-1-formylpyrrolidine-2-carbonyl]amino]pentanediamide 、 NAlpha-(5-氟-2,4-二硝基苯基)-L-亮氨酰胺 在 盐酸 、 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 反应 17.0h， 生成 L-FDLA-L-Thr 、 L-FDLA-L-Val 、 L-Phe- L-FDLA 、 、 L-FDLA-L-Pro 、
  参考文献：
  名称：

  Stigonemapeptin, an Ahp-Containing Depsipeptide with Elastase Inhibitory Activity from the Bloom-Forming Freshwater Cyanobacterium Stigonema sp.

  摘要：

  Stigonemapeptin (1), a depsipeptide containing an Ahp (3-amino-6-hydroxy-2-piperidone) residue, was isolated from a bloom sample of the freshwater cyanobacterium Stigonema sp. collected from North Nokomis Lake in the Highland Lake District of northern Wisconsin. The planar structure was determined by ID and 2D NMR experiments as well as HRESIMS analysis. The absolute configurations of the amino acids were determined using the advanced Marfey's method after acid hydrolysis. Stigonemapeptin (1), characterized by the presence of the Ahp residue, also contained the modified amino acids Abu (2-amino-2-butenoic acid) and N-formylated Pro. Stigonemapeptin (1) showed in vitro elastase and chymotrypsin inhibitory activity, with IC50 values of 0.26 and 2.93 mu M, respectively.

  DOI：

  10.1021/np300150h

文献信息

• Expanded Sequence Space of Radical S‐Adenosylmethionine‐Dependent Enzymes Involved in Post‐translational Macrocyclization**
  作者：Bei‐Bei He、Zhuo Cheng、Zheng Zhong、Ying Gao、Hongyan Liu、Yong‐Xin Li

  DOI：10.1002/anie.202212447

  日期：2022.11.25

  The rSAM enzymes are known to catalyze diverse crosslink formation in the biosynthesis of ribosomally synthesized and post-translationally modified peptides (RiPPs). Here, we develop a small peptide and enzyme co-occurrence analysis workflow (SPECO) to reveal the untapped biosynthetic landscape of rSAM-modified RiPPs and characterize cyclophane-forming enzymes that catalyze various tyrosine/histidine-aliphatic

  已知 rSAM 酶在核糖体合成和翻译后修饰的肽 (RiPP) 的生物合成中催化不同的交联形成。在这里，我们开发了一个小肽和酶共现分析工作流程 (SPECO)，以揭示 rSAM 修饰的 RiPP 尚未开发的生物合成景观，并表征催化各种酪氨酸/组氨酸-脂肪族侧链交联的环状烷形成酶。