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HIT212667679
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HIT212667679
  • HIT ID:HIT212667679
  • Cas No:1351169-40-8
  • 常用名:cIAP1 Ligand-Linker Conjugates 14
    常用名:cIAP1 Ligand-Linker Conjugates 14
  • 别名:E3 ligase Ligand-Linker Conjugates 36
  • IUPAC:2-[2-(2-{2-[(2S)-2-[(2S,3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-hydroxy-4-phenylbutanamido]-4-methylpentanamido]ethoxy}ethoxy)ethoxy]acetic acid
    IUPAC:2-[2-(2-{2-[(2S)-2-[(2S,3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-hydroxy-4-phenylbutanamido]-4-methylpentanamido]ethoxy}ethoxy)ethoxy]acetic acid
  • InChI key:DCRUHCTZKLQUKA-ZHAMFGDSSA-N
  • 分子式:C39H49N3O10
  • 分子量:719.832
  • 氢键供体数 (HBD):5
  • 氢键受体数 (HBA):9
  • LogP:3.5426898
  • SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCCOCCOCCOCC(O)=O
    SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCCOCCOCCOCC(O)=O
  • cIAP1 Ligand-Linker Conjugates 14 consist of an IAP ligand that targets the E3 ubiquitin ligase and a PROTAC linker. These conjugates, known as cIAP1 Ligand-Linker Conjugates 14, are used in the development of SNIPERs[1].
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