3-(phenylmethylsulfanyl)-2-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-(3-phenylpropanoylamino)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(hydrocinnamoylamino)propionic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO3S/c21-18(12-11-15-7-3-1-4-8-15)20-17(19(22)23)14-24-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,21)(H,22,23)