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Chemical structure of Biotin-PEG6-NHS ester

GC66995

Biotin-PEG6-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[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]ethoxy]ethoxy]propanoate

Biotin-PEG6-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055045-04-8MW676.78FormulaC29H48N4O12S
CAS number
2055045-04-8
Molecular weight
676.78
Formula
C29H48N4O12S
InChIKey
QWDVPTVNWZPKBQ-LXWOLXCRSA-N
Catalogue number
GC66995
Brand
GLPBIO
Computed properties PubChem CID 102514757 · XLogP -1.9 · TPSA 215 Ų · H-bond donors 3
XLogP
-1.9
TPSA
215 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
28
Heavy atoms
46

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

Computed descriptors from PubChem (CID 102514757), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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