potassium 3-(phenylmethylsulfanyl)-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: potassium 3-(phenylmethylsulfanyl)-2-(3-phenylpropanoylamino)propanoate Openeye Name: potassium 3-benzylsulfanyl-2-(3-phenylpropanoylamino)propanoate CAS Name: potassium 2-[(1-oxo-3-phenylpropyl)amino]-3-(phenylmethylthio)propanoate IUPAC Name: potassium 3-benzylsulfanyl-2-(3-phenylpropanoylamino)propanoate Traditional Name: potassium 3-(benzylthio)-2-(hydrocinnamoylamino)propionate Formula: C19H20KNO3S MolecularWeight: 381.5303

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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-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C19H21NO3S.K/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);/q;+1/p-1