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HIT212667957
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HIT212667957
  • HIT ID:HIT212667957
  • Cas No:2204309-09-9
  • 常用名:Mal-PEG4-Glu(OH)-NH-m-PEG24
  • IUPAC:(4S)-4-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amido}-4-[(2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-yl)carbamoyl]butanoic acid
    IUPAC:(4S)-4-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amido}-4-[(2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-yl)carbamoyl]butanoic acid
  • InChI key:SLNDHPJTHXRBOW-FGKSCKJQSA-N
  • 分子式:C72H134N4O35
  • 分子量:1615.857
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):35
  • LogP:-4.3537517
  • SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCC(O)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |c:107|
    SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCC(O)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |c:107|
  • Mal-PEG4-Glu(OH)-NH-m-PEG24 is a polyethylene glycol-based (PEG-based) linker, specifically designed for the synthesis of proteolysis-targeting chimeras (PROTACs)[1].
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