2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methyl-butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O3S/c1-9(2)14(15(19)20)17-12(18)7-8-13-16-10-5-3-4-6-11(10)21-13/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)(H,19,20)