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Chemical structure of Boc-NH-PEG3-NHS ester

GC66123

Boc-NH-PEG3-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate

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

ChemicalCAS2250216-93-2MW418.44FormulaC18H30N2O9
CAS number
2250216-93-2
Molecular weight
418.44
Formula
C18H30N2O9
InChIKey
DCSQNPDDWGCFIB-UHFFFAOYSA-N
Catalogue number
GC66123
Brand
GLPBIO
Computed properties PubChem CID 134827758 · XLogP -0.6 · TPSA 130 Ų · H-bond donors 1
XLogP
-0.6
TPSA
130 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
29

SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

Computed descriptors from PubChem (CID 134827758), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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