3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Openeye Name: 3-methyl-2-[3-(2-thienyl)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[(1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Traditional Name: 3-methyl-2-[3-(2-thienyl)propanoylamino]butyric acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=CC=CS1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=CC=CS1

InChI

InChI=1S/C12H17NO3S/c1-8(2)11(12(15)16)13-10(14)6-5-9-4-3-7-17-9/h3-4,7-8,11H,5-6H2,1-2H3,(H,13,14)(H,15,16)