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HIT212668077
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HIT212668077
  • HIT ID:HIT212668077
  • Cas No:2353409-60-4
  • 常用名:N-Desthiobiotin-N-bis(PEG4-t-butyl ester)
    常用名:N-Desthiobiotin-N-bis(PEG4-t-butyl ester)
  • IUPAC:tert-butyl 1-{N-[15-(tert-butoxy)-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}-3,6,9,12-tetraoxapentadecan-15-oate
    IUPAC:tert-butyl 1-{N-[15-(tert-butoxy)-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}-3,6,9,12-tetraoxapentadecan-15-oate
  • InChI key:PUELEIRDQBMWBK-SZAHLOSFSA-N
  • 分子式:C40H75N3O14
  • 分子量:822.047
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):12
  • LogP:1.8200036
  • SMILES:C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)N(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C
    SMILES:C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)N(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C
  • N-Desthiobiotin-N-bis(PEG4-t-butyl ester) is a PEG-based linker compound employed for the synthesis of PROTACs, which are bifunctional molecules designed for targeted protein degradation[1].
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