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Chemical structure of N-Boc-N-bis(PEG3-NHS ester)

GC66773

N-Boc-N-bis(PEG3-NHS ester)

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate

N-Boc-N-bis(PEG3-NHS ester) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055042-31-2MW719.73FormulaC31H49N3O16
CAS number
2055042-31-2
Molecular weight
719.73
Formula
C31H49N3O16
InChIKey
PQSUBGGFVYSVNA-UHFFFAOYSA-N
Catalogue number
GC66773
Brand
GLPBIO
Computed properties PubChem CID 123132134 · XLogP -1.9 · TPSA 212 Ų · H-bond donors 0
XLogP
-1.9
TPSA
212 Ų
H-bond donors
0
H-bond acceptors
16
Rotatable bonds
30
Heavy atoms
50

SMILES CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

Computed descriptors from PubChem (CID 123132134), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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