Products 413615-35-7
CAS 413615-35-7 appears in our catalog under these names: Benthiavalicarb, >95% (HPLC), rel-Benthiavalicarb, >95% (HPLC), Benthiavalicarb (free acid), ((2S)-1-{((1R)-1-(6-Fluoro-1,3-Benzothiazol-2-Yl)Ethyl)Amino}-3-Methyl-1-Oxo-2-Butanyl)Carbamic Acid. Offered by: TRC, Dr. Ehrenstorfer, Biosynth. Available pack sizes: 10mg, 1mg, 50mg, 5mg, 2mg, 25mg.
Benthiavalicarb is a carboxamide resulting from the formal condensation of the carboxy group of L-valine with (1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethylamine and replacement of one of the hydrogens attached to the alpha-amino group by a carboxy group. It is the active form of the fungicide benthiavalicarb isopropyl (in which the carbamic acid group has been converted to the corresponding isopropyl ester). It has a role as an antifungal agrochemical. It is a valine derivative, an organofluorine compound, a carboxamide, a member of benzothiazoles, a valinamide fungicide and a benzothiazole fungicide.
Source: ChEBI
| Molecular formula | C15H18FN3O3S |
|---|---|
| Molecular weight | 339.4 g/mol |
| IUPAC name | [(2S)-1-[[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid |
| InChIKey | VVSLYIKSEBPRSN-PELKAZGASA-N |
| SMILES | C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@H](C(C)C)NC(=O)O |
Computed by PubChem (NCBI)