Name: Dde Biotin-PEG4-Picolyl azide
Rating: 5 (10 reviews)

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HIT ID:HIT212668834
Cas No:2055048-42-3
常用名:Dde Biotin-PEG4-Picolyl azide
IUPAC:1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[6-(azidomethyl)pyridin-3-yl]-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadecan-19-amide
IUPAC:1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[6-(azidomethyl)pyridin-3-yl]-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadecan-19-amide
InChI key:CYXSXYDLWXHYSI-RHLYCORQSA-N

分子式:C38H57N9O9S
分子量:815.99
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:0.28258514
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](=O)-[#7]-c3ccc(-[#6]-[#7]=[N+]=[#7-])nc3)=[#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](=O)-[#7]-c3ccc(-[#6]-[#7]=[N+]=[#7-])nc3)=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)[C@@]1([H])[#7]-[#6](=O)-[#7]2

Dde Biotin-PEG4-Picolyl azide is a PEG-based PROTAC linker used for synthesizing PROTACs[1].

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