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HIT214433546
 sdf 文件
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HIT214433546
  • HIT ID:HIT214433546
  • Cas No:
  • 常用名:DSPE-PEG46-DBCO
  • IUPAC:(2-{140-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135,138-hexatetracontaoxa-1-aza-140n-1-yl}ethoxy)[(2S)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
    IUPAC:(2-{140-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-2-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135,138-hexatetracontaoxa-1-aza-140n-1-yl}ethoxy)[(2S)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
  • InChI key:IMSNNLOURWHCMD-YJLPJSBMSA-N
  • 分子式:C153H280N3O57P
  • 分子量:3104.861
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)OC(=O)CCCCCCCCCCCCCCCCC
    SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)OC(=O)CCCCCCCCCCCCCCCCC
  • DSPE-PEG46-DBCO is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
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