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HIT214314793
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HIT214314793
  • HIT ID:HIT214314793
  • Cas No:2353409-56-8
  • 常用名:Biotin-PEG4-Dde-TAMRA-PEG3-Azide
    常用名:Biotin-PEG4-Dde-TAMRA-PEG3-Azide
  • IUPAC:9-(4-{[2-({2-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadecan-19-yl)carbamoyl]ethyl}(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl)ethyl]carbamoyl}-2-carboxyphenyl)-3-amino-6-(dimethylamino)-10lambda4-xanthen-10-ylium
    IUPAC:9-(4-{[2-({2-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadecan-19-yl)carbamoyl]ethyl}(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl)ethyl]carbamoyl}-2-carboxyphenyl)-3-amino-6-(dimethylamino)-10lambda4-xanthen-10-ylium
  • InChI key:PGEWZGNFAUQSFD-RKILTYLGSA-O
  • 分子式:C69H97N12O17S
  • 分子量:1398.66
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12[#6]-[#16]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c3ccc(c(c3)-[#6](-[#8])=O)-c3c4ccc(-[#7])cc4[o+]c4cc(ccc34)-[#7](-[#6])-[#6])=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)[C@@]1([H])[#7]-[#6](=O)-[#7]2
    SMILES:[H][C@]12[#6]-[#16]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c3ccc(c(c3)-[#6](-[#8])=O)-c3c4ccc(-[#7])cc4[o+]c4cc(ccc34)-[#7](-[#6])-[#6])=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)[C@@]1([H])[#7]-[#6](=O)-[#7]2
  • Biotin-PEG4-Dde-TAMRA-PEG3-Azide is a seven-unit polyethylene glycol (PEG) linker that is cleavable and employed in the synthetic production of antibody-drug conjugates (ADCs)[1].
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