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

Systemtic Name: 3-(2-methylpentan-3-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-ethyl-2-methyl-propyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-(2-methylpentan-3-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(2-methylpentan-3-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-ethyl-2-methyl-propyl)amino]-3-(2-thienyl)propionic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2S/c1-4-10(9(2)3)14-11(8-13(15)16)12-6-5-7-17-12/h5-7,9-11,14H,4,8H2,1-3H3,(H,15,16)