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Chemical structure of PC Alkyne-PEG4-NHS ester

GC66267

PC Alkyne-PEG4-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 1-[5-methoxy-2-nitro-4-[4-oxo-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]butoxy]phenyl]ethyl carbonate

PC Alkyne-PEG4-NHS ester is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1802907-98-7MW653.63FormulaC29H39N3O14
CAS number
1802907-98-7
Molecular weight
653.63
Formula
C29H39N3O14
InChIKey
AOWMPLACVFKCJJ-UHFFFAOYSA-N
Catalogue number
GC66267
Brand
GLPBIO
Computed properties PubChem CID 102514778 · XLogP 0.4 · TPSA 203 Ų · H-bond donors 1
XLogP
0.4
TPSA
203 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
24
Heavy atoms
46

SMILES CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCOCC#C)OC)OC(=O)ON2C(=O)CCC2=O

Computed descriptors from PubChem (CID 102514778), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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