3-(phenylmethylsulfanyl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(2-mercapto-3-phenyl-propanoyl)amino]propionic acid Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c21-18(17(24)11-14-7-3-1-4-8-14)20-16(19(22)23)13-25-12-15-9-5-2-6-10-15/h1-10,16-17,24H,11-13H2,(H,20,21)(H,22,23)