3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-3-(2-thienyl)propionic acid Formula: C16H27NO2S MolecularWeight: 297.45608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S/c1-11(2)8-13(9-12(3)4)17-14(10-16(18)19)15-6-5-7-20-15/h5-7,11-14,17H,8-10H2,1-4H3,(H,18,19)