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Chemical structure of N-(DBCO-PEG4)-N-Biotin-PEG4-NHS

GC67260

N-(DBCO-PEG4)-N-Biotin-PEG4-NHS

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

N-(DBCO-PEG4)-N-Biotin-PEG4-NHS is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2353409-72-8MW1095.26FormulaC54H74N6O16S
CAS number
2353409-72-8
Molecular weight
1095.26
Formula
C54H74N6O16S
InChIKey
WGXIBGJQQHWGKY-XVESOEPISA-N
Catalogue number
GC67260
Brand
GLPBIO
Computed properties PubChem CID 137334035 · XLogP -0.1 · TPSA 274 Ų · H-bond donors 3
XLogP
-0.1
TPSA
274 Ų
H-bond donors
3
H-bond acceptors
17
Rotatable bonds
40
Heavy atoms
77

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6

Computed descriptors from PubChem (CID 137334035), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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