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Chemical structure of DBCO-PEG4-Desthiobiotin

GC67049

DBCO-PEG4-Desthiobiotin

Also known as N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

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

ChemicalCAS2032788-37-5MW719.87FormulaC39H53N5O8
CAS number
2032788-37-5
Molecular weight
719.87
Formula
C39H53N5O8
InChIKey
RLLRLVMWDMAIJT-BFGHFXMOSA-N
Catalogue number
GC67049
Brand
GLPBIO
Computed properties PubChem CID 86580455 · XLogP 1.7 · TPSA 157 Ų · H-bond donors 4
XLogP
1.7
TPSA
157 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
24
Heavy atoms
52

SMILES C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 86580455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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