3-(4-phenylbutan-2-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(4-phenylbutan-2-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-methyl-3-phenyl-propyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-(4-phenylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(4-phenylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-methyl-3-phenyl-propyl)amino]-3-(2-thienyl)propionic acid Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C17H21NO2S/c1-13(9-10-14-6-3-2-4-7-14)18-15(12-17(19)20)16-8-5-11-21-16/h2-8,11,13,15,18H,9-10,12H2,1H3,(H,19,20)