3-(5-methylhexan-2-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(5-methylhexan-2-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1,4-dimethylpentylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(5-methylhexan-2-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(5-methylhexan-2-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1,4-dimethylpentylamino)-3-(2-thienyl)propionic acid Formula: C14H23NO2S MolecularWeight: 269.40292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2S/c1-10(2)6-7-11(3)15-12(9-14(16)17)13-5-4-8-18-13/h4-5,8,10-12,15H,6-7,9H2,1-3H3,(H,16,17)