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HIT212667395
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HIT212667395
  • HIT ID:HIT212667395
  • Cas No:
  • 常用名:BCN-PEG3-Val-Cit
  • IUPAC:(2S)-2-[(2S)-2-(3-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
    IUPAC:(2S)-2-[(2S)-2-(3-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
  • InChI key:RMZPLJIZEJSIEM-OKKIFYCISA-N
  • 分子式:C31H51N5O10
  • 分子量:653.774
  • 氢键供体数 (HBD):6
  • 氢键受体数 (HBA):9
  • LogP:0.36390823
  • SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O
    SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O
  • BCN-PEG3-Val-Cit is a PEG-based linker commonly employed in PROTAC synthesis[1]. Additionally, it serves as a cleavable 3 unit PEG linker in the production of antibody-drug conjugates (ADCs)[2].
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