(1R,4R,11S,20S,23R)-11-benzyl-23-butan-2-yl-20-[(1R)-1-hydroxyethyl]-4-methyl-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-5(28),7,24(27)-triene-2,9,12,18,21-pentone

• 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: (1R,4R,11S,20S,23R)-11-benzyl-23-butan-2-yl-20-[(1R)-1-hydroxyethyl]-4-methyl-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-5(28),7,24(27)-triene-2,9,12,18,21-pentone
• 化学式: C₃₃H₄₃N₇O₆S₂
• 分子量: 697.9
• InChiKey: PBVGQOXVBWQTTN-VHUDODCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  48
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  236
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• IN VITRO PRODUCTION OF CYCLIC PEPTIDES
  申请人：The University Court of the University of Aberdeen

  公开号：US20150322474A1

  公开（公告）日：2015-11-12

  This invention relates to the in vitro production of cyclic peptides using cyanobacterial enzymes, such as patellamide biosynthesis enzymes. Linear peptide substrates are cyclized using an isolated cyanbacterial macrocyclase, such as PatG from Prochloron spp. Before cyclisation, residues in the linear peptide substrates may be heterocyclised using isolated cyanbacterial heterocyclases, such as PatD or TruD heterocyclase. Methods of the invention may be useful, for example, for the production of cyclic peptidyl molecules, including cyclotides, such as katalas, and cyanobactins, such as patellamides and telomestatins, for example for use in the development of therapeutics.

  本发明涉及使用蓝藻酶（如贝壳肽生物合成酶）在体外生产环肽。使用分离的蓝藻大环化酶（例如Prochloronspp中的PatG）将线性肽底物环化。在环化之前，线性肽底物中的残基可以使用分离的蓝藻杂环化酶（例如PatD或TruD杂环化酶）杂环化。本发明的方法可能有用，例如用于生产环肽分子，包括环肽，如katalas和cyanobactins，如贝壳肽和端粒抑制剂，例如用于开发治疗药物。
• [EN] IN VITRO PRODUCTION OF CYCLIC PEPTIDES<br/>[FR] PRODUCTION IN VITRO DE PEPTIDES CYCLIQUES
  申请人：UNIV ABERDEEN

  公开号：WO2014001822A2

  公开（公告）日：2014-01-03

  This invention relates to the in vitro production of cyclic peptides using cyanobacterial enzymes, such as patellamide biosynthesis enzymes. Linear peptide substrates are cyclized using an isolated cyanbacterial macrocyclase, such as PatG from Prochloron spp. Before cyclisation, residues in the linear peptide substrates may be heterocyclised using isolated cyanbacterial heterocyclases, such as PatD or TruD heterocyclase. Methods of the invention may be useful, for example, for the production of cyclic peptidyl molecules, including cyclotides, such as katalas, and cyanobactins, such as patellamides and telomestatins, for example for use in the development of therapeutics.