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Chemical structure of DBCO-PEG5-DBCO

GC67305

DBCO-PEG5-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-[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]propanamide

DBCO-PEG5-DBCO is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2363130-04-3MW854.99FormulaC50H54N4O9
CAS number
2363130-04-3
Molecular weight
854.99
Formula
C50H54N4O9
InChIKey
SKXBZFNMPUFHFH-UHFFFAOYSA-N
Catalogue number
GC67305
Brand
GLPBIO
Computed properties PubChem CID 86580456 · XLogP 3.1 · TPSA 145 Ų · H-bond donors 2
XLogP
3.1
TPSA
145 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
24
Heavy atoms
63

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

Computed descriptors from PubChem (CID 86580456), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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