3,3-dimethyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-[3-(2-thienyl)propanoylamino]butanoic acid CAS Name: 3,3-dimethyl-2-[(1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Traditional Name: 3,3-dimethyl-2-[3-(2-thienyl)propanoylamino]butyric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-13(2,3)11(12(16)17)14-10(15)7-6-9-5-4-8-18-9/h4-5,8,11H,6-7H2,1-3H3,(H,14,15)(H,16,17)