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

Systemtic Name: 3-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid Openeye Name: 3-methyl-2-[3-(2-thienyl)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[(1-oxo-3-thiophen-2-ylpropyl)amino]pentanoic acid IUPAC Name: 3-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid Traditional Name: 3-methyl-2-[3-(2-thienyl)propanoylamino]valeric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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