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Chemical structure of Dde Biotin-PEG4-Picolyl azide

GC67656

Dde Biotin-PEG4-Picolyl azide

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[3-[[6-(azidomethyl)-3-pyridinyl]amino]-3-oxopropyl]imino-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

Dde Biotin-PEG4-Picolyl azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055048-42-3MW815.98FormulaC38H57N9O9S
CAS number
2055048-42-3
Molecular weight
815.98
Formula
C38H57N9O9S
InChIKey
DCSHIGVYFAFOCE-RHLYCORQSA-N
Catalogue number
GC67656
Brand
GLPBIO
Computed properties PubChem CID 137045447 · XLogP 0.9 · TPSA 238 Ų · H-bond donors 5
XLogP
0.9
TPSA
238 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
27
Heavy atoms
57

SMILES CC1(CC(=C(C(=O)C1)C(=NCCC(=O)NC2=CN=C(C=C2)CN=[N+]=[N-])CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)O)C

Computed descriptors from PubChem (CID 137045447), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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