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Chemical structure of Dde Biotin-PEG4-alkyne

GC60126

Dde Biotin-PEG4-alkyne

Also known as 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-prop-2-ynyliminopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

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

ChemicalCAS1802908-00-4MW650.83FormulaC32H50N4O8S
CAS number
1802908-00-4
Molecular weight
650.83
Formula
C32H50N4O8S
InChIKey
BDJHEZRAKBBIJH-UCVANPEUSA-N
Catalogue number
GC60126
Brand
GLPBIO
Computed properties PubChem CID 146026256 · XLogP 0.6 · TPSA 182 Ų · H-bond donors 4
XLogP
0.6
TPSA
182 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
22
Heavy atoms
45

SMILES CC1(CC(=C(C(=O)C1)C(=NCC#C)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2[C@H]3[C@@H](CS2)NC(=O)N3)O)C

Computed descriptors from PubChem (CID 146026256), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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