3-(3-methylbutylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(3-methylbutylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(isopentylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(3-methylbutylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(3-methylbutylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(isoamylamino)-3-(2-thienyl)propionic acid Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC(=O)O)C1=CC=CS1

Isomeric SMILES

CC(C)CCNC(CC(=O)O)C1=CC=CS1

InChI

InChI=1S/C12H19NO2S/c1-9(2)5-6-13-10(8-12(14)15)11-4-3-7-16-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,14,15)