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Chemical structure of N-(m-PEG4)-N'-(PEG4-NHS ester)-Cy5

GC67251

N-(m-PEG4)-N'-(PEG4-NHS ester)-Cy5

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate chloride

N-(m-PEG4)-N'-(PEG4-NHS ester)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-30-1MW926.53FormulaC49H68ClN3O12
CAS number
2107273-30-1
Molecular weight
926.53
Formula
C49H68ClN3O12
InChIKey
XOOJZKUFBYYOMK-UHFFFAOYSA-M
Catalogue number
GC67251
Brand
GLPBIO
Computed properties PubChem CID 156597062 · TPSA 144 Ų · H-bond donors 0 · H-bond acceptors 14
TPSA
144 Ų
H-bond donors
0
H-bond acceptors
14
Rotatable bonds
32
Heavy atoms
65

SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)CCOCCOCCOCCOC)C.[Cl-]

Computed descriptors from PubChem (CID 156597062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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