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HIT214314897
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HIT214314897
  • HIT ID:HIT214314897
  • Cas No:2055198-07-5
  • 常用名:Sulfo DBCO-PEG4-Maleimide
  • IUPAC:1-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amido}ethane-1-sulfonic acid
    IUPAC:1-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amido}ethane-1-sulfonic acid
  • InChI key:QXLOITKOSRDQIZ-UHFFFAOYSA-N
  • 分子式:C39H47N5O13S
  • 分子量:825.89
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OS(=O)(=O)C(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 |c:31|
    SMILES:OS(=O)(=O)C(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 |c:31|
  • Sulfo DBCO-PEG4-Maleimide is a PEGylated derivative containing a maleimide group commonly employed as a linker for the synthesis of PROteolysis TAgeting Chimeras (PROTACs)[1].
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