2-[2-[(26Z)-26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-oxo-1-(2-oxopropylamino)but-2-en-2-yl]-1,3-thiazole-4-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 2-[2-[(26Z)-26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-oxo-1-(2-oxopropylamino)but-2-en-2-yl]-1,3-thiazole-4-carboxamide
• 化学式: C₄₉H₄₉N₁₃O₁₀S₆
• 分子量: 1172.4
• InChiKey: DOYFHLROJAEHDR-QNSJPTDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  78
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  501
• 氢给体数：
  8
• 氢受体数：
  23

文献信息

• PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF
  申请人：Angiochem Inc.

  公开号：EP2794663A1

  公开（公告）日：2014-10-29
• [EN] PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS THÉRAPEUTIQUES PEPTIDIQUES ET LEURS APPLICATIONS
  申请人：ANGIOCHEM INC

  公开号：WO2010063124A1

  公开（公告）日：2010-06-10

  The present invention features a compound having the formula A-X-B, where A is peptide vector capable of enhancing transport of the compound across the blood- brain barrier or into particular cell types, X is a linker, and B is a peptide therapeutic. The compounds of the invention can be used to treat any disease for which the peptide therapeutic is useful.