3-(hexylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(hexylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(hexylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(hexylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(hexylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(hexylamino)-3-(2-thienyl)propionic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CC(=O)O)C1=CC=CS1

Isomeric SMILES

CCCCCCNC(CC(=O)O)C1=CC=CS1

InChI

InChI=1S/C13H21NO2S/c1-2-3-4-5-8-14-11(10-13(15)16)12-7-6-9-17-12/h6-7,9,11,14H,2-5,8,10H2,1H3,(H,15,16)