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Chemical structure of DSPE-PEG4-DBCO

GC67521

DSPE-PEG4-DBCO

Also known as [(2R)-3-[2-[3-[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]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

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

ChemicalCAS2112738-14-2MW1282.67FormulaC71H116N3O15P
CAS number
2112738-14-2
Molecular weight
1282.67
Formula
C71H116N3O15P
InChIKey
RIQFURRJENJBHO-IDKUVDLHSA-N
Catalogue number
GC67521
Brand
GLPBIO
Computed properties PubChem CID 129009580 · XLogP 16.1 · TPSA 224 Ų · H-bond donors 3
XLogP
16.1
TPSA
224 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
62
Heavy atoms
90

SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCCCC

Computed descriptors from PubChem (CID 129009580), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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