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Chemical structure of Diketone-PEG4-Biotin

GC67518

Diketone-PEG4-Biotin

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[4-(3,5-dioxohexyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

Diketone-PEG4-Biotin is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2353409-85-3MW678.84FormulaC33H50N4O9S
CAS number
2353409-85-3
Molecular weight
678.84
Formula
C33H50N4O9S
InChIKey
CJUCDLZQRUQWCG-OLWNVYNHSA-N
Catalogue number
GC67518
Brand
GLPBIO
Computed properties PubChem CID 137334062 · XLogP 0.1 · TPSA 196 Ų · H-bond donors 4
XLogP
0.1
TPSA
196 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
26
Heavy atoms
47

SMILES CC(=O)CC(=O)CCC1=CC=C(C=C1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

Computed descriptors from PubChem (CID 137334062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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