3-phenyl-2-[2-(phenylmethylsulfanyl)ethylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2-(phenylmethylsulfanyl)ethylamino]propanoic acid Openeye Name: 2-(2-benzylsulfanylethylamino)-3-phenyl-propanoic acid CAS Name: 3-phenyl-2-[2-(phenylmethylthio)ethylamino]propanoic acid IUPAC Name: 2-(2-benzylsulfanylethylamino)-3-phenylpropanoic acid Traditional Name: 2-[2-(benzylthio)ethylamino]-3-phenyl-propionic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCCSCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2S/c20-18(21)17(13-15-7-3-1-4-8-15)19-11-12-22-14-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,20,21)