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Chemical structure of N-(Biotin-PEG4)-N-bis(PEG4-Boc)

GC66972

N-(Biotin-PEG4)-N-bis(PEG4-Boc)

Also known as tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

N-(Biotin-PEG4)-N-bis(PEG4-Boc) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2112730-79-5MW1071.36FormulaC50H94N4O18S
CAS number
2112730-79-5
Molecular weight
1071.36
Formula
C50H94N4O18S
InChIKey
QEABYHYXLPQXGZ-DPPJWZTGSA-N
Catalogue number
GC66972
Brand
GLPBIO
Computed properties PubChem CID 126480446 · XLogP 0 · TPSA 262 Ų · H-bond donors 3
XLogP
0
TPSA
262 Ų
H-bond donors
3
H-bond acceptors
20
Rotatable bonds
54
Heavy atoms
73

SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

Computed descriptors from PubChem (CID 126480446), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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