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Chemical structure of DBCO-NHCO-PEG5-NHS ester

GC66570

DBCO-NHCO-PEG5-NHS ester

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

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

ChemicalCAS1378531-80-6MW693.74FormulaC36H43N3O11
CAS number
1378531-80-6
Molecular weight
693.74
Formula
C36H43N3O11
InChIKey
VGKLBFTYZNBCQG-UHFFFAOYSA-N
Catalogue number
GC66570
Brand
GLPBIO
Computed properties PubChem CID 86580458 · XLogP 0.3 · TPSA 159 Ų · H-bond donors 1
XLogP
0.3
TPSA
159 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
50

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 86580458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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