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HIT212667736
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HIT212667736
  • HIT ID:HIT212667736
  • Cas No:
  • 常用名:Fmoc-Lys (biotin-PEG12)-OH
  • IUPAC:(2S)-6-(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amido)-2-[(E)-{[(9H-fluoren-9-yl)methoxy](hydroxy)methylidene}amino]hexanoic acid
    IUPAC:(2S)-6-(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amido)-2-[(E)-{[(9H-fluoren-9-yl)methoxy](hydroxy)methylidene}amino]hexanoic acid
  • InChI key:FEAFOKDUASQZKD-SMIXBYGZSA-N
  • 分子式:C58H91N5O19S
  • 分子量:1194.44
  • 氢键供体数 (HBD):6
  • 氢键受体数 (HBA):19
  • LogP:2.6295931
  • SMILES:[H][C@@](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@]2([H])NC(=O)N[C@]12[H])(\N=C(/O)OCC1c2ccccc2-c2ccccc12)C(O)=O
    SMILES:[H][C@@](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@]2([H])NC(=O)N[C@]12[H])(\N=C(/O)OCC1c2ccccc2-c2ccccc12)C(O)=O
  • Fmoc-Lys (biotin-PEG12)-OH is a PEGylation-based linker compound utilized in PROTAC synthesis[1].
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    1

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