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

GC67232

Bis-(N,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-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]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

Bis-(N,N'-PEG4-NHS ester)-Cy5 is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-48-1MW1081.64FormulaC55H73ClN4O16
CAS number
2107273-48-1
Molecular weight
1081.64
Formula
C55H73ClN4O16
InChIKey
WEBFOGFOTIHXBB-UHFFFAOYSA-M
Catalogue number
GC67232
Brand
GLPBIO
Computed properties PubChem CID 156597094 · TPSA 207 Ų · H-bond donors 0 · H-bond acceptors 18
TPSA
207 Ų
H-bond donors
0
H-bond acceptors
18
Rotatable bonds
37
Heavy atoms
76

SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)CCOCCOCCOCCOCCC(=O)ON6C(=O)CCC6=O)C.[Cl-]

Computed descriptors from PubChem (CID 156597094), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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