EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H20BrN3O5S |
| Net Charge | 0 |
| Average Mass | 458.334 |
| Monoisotopic Mass | 457.03070 |
| SMILES | COc1ccc(N(C(C)C(=O)NN=Cc2cc(Br)c(C)o2)S(C)(=O)=O)cc1 |
| InChI | InChI=1S/C17H20BrN3O5S/c1-11(17(22)20-19-10-15-9-16(18)12(2)26-15)21(27(4,23)24)13-5-7-14(25-3)8-6-13/h5-11H,1-4H3,(H,20,22) |
| InChIKey | QCQFERNMXWDZJF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-bromo-5-methyl-2-furanyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CHEBI:113006) is a alanine derivative (CHEBI:22278) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24416 | LINCS |