3-(nonan-2-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(nonan-2-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1-methyloctylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(nonan-2-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(nonan-2-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1-methyloctylamino)-3-(2-thienyl)propionic acid Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S/c1-3-4-5-6-7-9-13(2)17-14(12-16(18)19)15-10-8-11-20-15/h8,10-11,13-14,17H,3-7,9,12H2,1-2H3,(H,18,19)