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Chemical structure of SPDP-PEG12-NHS ester

GC66794

SPDP-PEG12-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

SPDP-PEG12-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2601437-72-1MW912.07FormulaC39H65N3O17S2
CAS number
2601437-72-1
Molecular weight
912.07
Formula
C39H65N3O17S2
InChIKey
PQUMQQHUIZYDPW-UHFFFAOYSA-N
Catalogue number
GC66794
Brand
GLPBIO
Computed properties PubChem CID 51341026 · XLogP -1.9 · TPSA 267 Ų · H-bond donors 1
XLogP
-1.9
TPSA
267 Ų
H-bond donors
1
H-bond acceptors
20
Rotatable bonds
46
Heavy atoms
61

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2

Computed descriptors from PubChem (CID 51341026), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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