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Chemical structure of PC-Biotin-PEG4-NHS carbonate

GC66417

PC-Biotin-PEG4-NHS carbonate

Also known as 1-[5-[[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

PC-Biotin-PEG4-NHS carbonate is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055198-03-1MW810.87FormulaC35H50N6O14S
CAS number
2055198-03-1
Molecular weight
810.87
Formula
C35H50N6O14S
InChIKey
APFWBUQXFFFWPE-WMEVZKCTSA-N
Catalogue number
GC66417
Brand
GLPBIO
Computed properties PubChem CID 119058302 · XLogP -0.3 · TPSA 280 Ų · H-bond donors 4
XLogP
-0.3
TPSA
280 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
27
Heavy atoms
56

SMILES CC(C1=C(C=CC(=C1)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-])OC(=O)ON4C(=O)CCC4=O

Computed descriptors from PubChem (CID 119058302), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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