2-(2-butylsulfanylethylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-butylsulfanylethylamino)-3-phenyl-propanoic acid Openeye Name: 2-(2-butylsulfanylethylamino)-3-phenyl-propanoic acid CAS Name: 2-[2-(butylthio)ethylamino]-3-phenylpropanoic acid IUPAC Name: 2-(2-butylsulfanylethylamino)-3-phenylpropanoic acid Traditional Name: 2-[2-(butylthio)ethylamino]-3-phenyl-propionic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCNC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCSCCNC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H23NO2S/c1-2-3-10-19-11-9-16-14(15(17)18)12-13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-12H2,1H3,(H,17,18)