cyanopeptolin 880 | 1110667-86-1

• 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: cyanopeptolin 880
• 英文别名: (2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-21-hydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxy-2-methoxypropanamide
• CAS: 1110667-86-1
• 化学式: C₄₅H₆₄N₆O₁₂
• 分子量: 881.036
• InChiKey: AQKSWWARSJIVMX-LUSPZTBSSA-N

物化性质

• 沸点：
  1201.9±65.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  63
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  253
• 氢给体数：
  7
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  cyanopeptolin 880 生成 2-O-methyl-D-glyceric acid 、 L-高酪氨酸
  参考文献：
  名称：

  Homotyrosine-Containing Cyanopeptolins 880 and 960 and Anabaenopeptins 908 and 915 from Planktothrix agardhii CYA 126/8

  摘要：

  Two homotyrosine-bearing cyanopeptolins are described from Planktothrix agardhii CYA 126/8. The compounds feature a common homotyrosine-containing cyclohexadepsipeptide and differ by sulfation of an exocyclically located 2-O-methyl-D-glyceric acid residue. In addition we describe two anabaenopeptins, which contain two homotyrosine residues, one of which is N-methylated. The anabaenopeptins have a common cyclopentapeptide portion and differ in the amino acid linked to it via an ureido bond, arginine and tyrosine, respectively.

  DOI：

  10.1021/np800557m

文献信息

• Homotyrosine-Containing Cyanopeptolins 880 and 960 and Anabaenopeptins 908 and 915 from <i>Planktothrix agardhii</i> CYA 126/8
  作者：Hilary S. Okumura、Benjamin Philmus、Cyril Portmann、Thomas K. Hemscheidt

  DOI：10.1021/np800557m

  日期：2009.1.23

  Two homotyrosine-bearing cyanopeptolins are described from Planktothrix agardhii CYA 126/8. The compounds feature a common homotyrosine-containing cyclohexadepsipeptide and differ by sulfation of an exocyclically located 2-O-methyl-D-glyceric acid residue. In addition we describe two anabaenopeptins, which contain two homotyrosine residues, one of which is N-methylated. The anabaenopeptins have a common cyclopentapeptide portion and differ in the amino acid linked to it via an ureido bond, arginine and tyrosine, respectively.