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HIT212667924
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HIT212667924
  • HIT ID:HIT212667924
  • Cas No:2353409-52-4
  • 常用名:Mal-amido-PEG8-val-gly-PAB-OH
  • IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-[({[4-(hydroxymethyl)phenyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
    IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-[({[4-(hydroxymethyl)phenyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
  • InChI key:MYSMNFIFBSFPRJ-KDXMTYKHSA-N
  • 分子式:C40H63N5O15
  • 分子量:853.964
  • 氢键供体数 (HBD):5
  • 氢键受体数 (HBA):15
  • LogP:-2.0286603
  • SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NCC(=O)Nc1ccc(CO)cc1 |c:41|
    SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NCC(=O)Nc1ccc(CO)cc1 |c:41|
  • Mal-amido-PEG8-val-gly-PAB-OH is an eight-unit PEG cleavable linker frequently employed in the synthesis of antibody-drug conjugates (ADCs)[1].
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