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Chemical structure of NHS-PEG4-(m-PEG4)3-ester

GC67007

NHS-PEG4-(m-PEG4)3-ester

Also known as (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate

NHS-PEG4-(m-PEG4)3-ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1333154-70-3MW1363.54FormulaC60H110N6O28
CAS number
1333154-70-3
Molecular weight
1363.54
Formula
C60H110N6O28
InChIKey
CPFQBAXMDMJPOZ-UHFFFAOYSA-N
Catalogue number
GC67007
Brand
GLPBIO
Computed properties PubChem CID 51341036 · XLogP -7.2 · TPSA 385 Ų · H-bond donors 5
XLogP
-7.2
TPSA
385 Ų
H-bond donors
5
H-bond acceptors
28
Rotatable bonds
73
Heavy atoms
94

SMILES COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

Computed descriptors from PubChem (CID 51341036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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