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

Systemtic Name: 3-(5-methylheptan-3-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-(5-methylheptan-3-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(5-methylheptan-3-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-3-(2-thienyl)propionic acid Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2S/c1-4-11(3)9-12(5-2)16-13(10-15(17)18)14-7-6-8-19-14/h6-8,11-13,16H,4-5,9-10H2,1-3H3,(H,17,18)