CAS 1857352-95-4 appears in our catalog under these names: Cy5.5 DBCO, 95%, 95%, Cy5.5 dbco, 95%, Cy5.5 DBCO 95%, Cy5.5 DBCO, 99.0%. Offered by: Chemat, Combi-blocks, Ambeed, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 100mg, 1 mg, 5 mg.
3-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate (CAS 1857352-95-4) is a chemical compound with the molecular formula C59H58N4O14S4 and a molecular weight of 1175.4 g/mol. IUPAC name: 3-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate. InChIKey: VTRGNBPOXZSARU-UHFFFAOYSA-N.
| Molecular formula | C59H58N4O14S4 |
|---|---|
| Molecular weight | 1175.4 g/mol |
| IUPAC name | 3-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate |
| InChIKey | VTRGNBPOXZSARU-UHFFFAOYSA-N |
| SMILES | CCN\1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)[O-])CCCCCC(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)(C)C |
Computed by PubChem (NCBI)