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HIT212667959
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HIT212667959
  • HIT ID:HIT212667959
  • Cas No:
  • 常用名:Mal-PEG4-Lys(TFA)-NH-m-PEG24
  • IUPAC:N-[(1S)-5-amino-1-[(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]pentyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amide; trifluoroacetic acid
    IUPAC:N-[(1S)-5-amino-1-[(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]pentyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amide; trifluoroacetic acid
  • InChI key:SUVMAWOJJGBGEF-NWPMZMOBSA-N
  • 分子式:C75H140F3N5O35
  • 分子量:1728.94
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):34
  • LogP:-4.1325016
  • SMILES:OC(=O)C(F)(F)F.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |c:113|
    SMILES:OC(=O)C(F)(F)F.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |c:113|
  • Mal-PEG4-Lys(TFA)-NH-m-PEG24 is a polyethylene glycol (PEG) derivative specifically designed as a PROTAC linker for the synthesis of proteolysis targeting chimeras (PROTACs) [1].
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