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Chemical structure of DBCO-CONH-S-S-NHS ester

GC60741

DBCO-CONH-S-S-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]propanoate

DBCO-CONH-S-S-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1435934-53-4MW565.66FormulaC28H27N3O6S2
CAS number
1435934-53-4
Molecular weight
565.66
Formula
C28H27N3O6S2
InChIKey
RPNGUSKTYYIUDE-UHFFFAOYSA-N
Catalogue number
GC60741
Brand
GLPBIO
Computed properties PubChem CID 98233194 · XLogP 1.7 · TPSA 164 Ų · H-bond donors 1
XLogP
1.7
TPSA
164 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
39

SMILES C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 98233194), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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