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

GC66966

N-(Biotin-PEG4)-N-bis(PEG4-acid)

Also known as 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-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

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

ChemicalCAS2112731-48-1MW959.15FormulaC42H78N4O18S
CAS number
2112731-48-1
Molecular weight
959.15
Formula
C42H78N4O18S
InChIKey
JCZOMFDURQUNGJ-VJZJJTPSSA-N
Catalogue number
GC66966
Brand
GLPBIO
Computed properties PubChem CID 126480432 · XLogP -4.9 · TPSA 284 Ų · H-bond donors 5
XLogP
-4.9
TPSA
284 Ų
H-bond donors
5
H-bond acceptors
20
Rotatable bonds
50
Heavy atoms
65

SMILES C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O)NC(=O)N2

Computed descriptors from PubChem (CID 126480432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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