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Chemical structure of DBCO-PEG9-DBCO

GC67666

DBCO-PEG9-DBCO

Also known as N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

DBCO-PEG9-DBCO is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2353409-50-2MW1031.2FormulaC58H70N4O13
CAS number
2353409-50-2
Molecular weight
1031.2
Formula
C58H70N4O13
InChIKey
KEUOUDHOMOVWEC-UHFFFAOYSA-N
Catalogue number
GC67666
Brand
GLPBIO
Computed properties PubChem CID 137700722 · XLogP 2.6 · TPSA 182 Ų · H-bond donors 2
XLogP
2.6
TPSA
182 Ų
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
36
Heavy atoms
75

SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64

Computed descriptors from PubChem (CID 137700722), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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