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Chemical structure of Dde Biotin-PEG4-DBCO

GC67650

Dde Biotin-PEG4-DBCO

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-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]imino-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

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

ChemicalCAS1807512-43-1MW872.08FormulaC47H61N5O9S
CAS number
1807512-43-1
Molecular weight
872.08
Formula
C47H61N5O9S
InChIKey
MBDLFOMKROBSCE-WALFPXMSSA-N
Catalogue number
GC67650
Brand
GLPBIO
Computed properties PubChem CID 136663253 · XLogP 2.9 · TPSA 202 Ų · H-bond donors 4
XLogP
2.9
TPSA
202 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
24
Heavy atoms
62

SMILES CC1(CC(=C(C(=O)C1)C(=NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)O)C

Computed descriptors from PubChem (CID 136663253), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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