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Chemical structure of N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5

GC67231

N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5

Also known as N-(4-hydroxycyclohexyl)-3-[2-[2-[2-[2-[(2E)-2-[(2E,4E)-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]propanamide chloride

N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-72-1MW926.62FormulaC51H76ClN3O10
CAS number
2107273-72-1
Molecular weight
926.62
Formula
C51H76ClN3O10
InChIKey
JFQMYTOWRSXERF-UHFFFAOYSA-N
Catalogue number
GC67231
Brand
GLPBIO
Computed properties PubChem CID 119058323 · TPSA 129 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
129 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
31
Heavy atoms
65

SMILES CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)NC5CCC(CC5)O)(C)C)CCOCCOCCOCCOC)C.[Cl-]

Computed descriptors from PubChem (CID 119058323), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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