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HIT212668124
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HIT212668124
  • HIT ID:HIT212668124
  • Cas No:2226235-96-5
  • 常用名:N-PEG3-N'-(azide-PEG3)-Cy5
  • IUPAC:2-[(1E,3E)-5-[(2E)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-3H-indol-1-ium chloride
    IUPAC:2-[(1E,3E)-5-[(2E)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-3H-indol-1-ium chloride
  • InChI key:XDWWTFOMGZZKBB-UHFFFAOYSA-M
  • 分子式:C39H54ClN5O6
  • 分子量:724.34
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):9
  • LogP:2.7624238
  • SMILES:[Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)N(CCOCCOCCOCCN=[N+]=[N-])c2ccccc12 |c:9|
    SMILES:[Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)N(CCOCCOCCOCCN=[N+]=[N-])c2ccccc12 |c:9|
  • N-PEG3-N'-(azide-PEG3)-Cy5 (chloride) is a polyethylene glycol (PEG) derivative, commonly known as a PROTAC linker. This compound plays a crucial role in the synthesis of proteolysis targeting chimeras (PROTACs)[1]
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