2-(phenylcarbonylsulfanyl)-2-(3-phenylpropanoylamino)-3-prop-2-enylsulfanyl-propanoic acid

Systemtic Name: 2-(phenylcarbonylsulfanyl)-2-(3-phenylpropanoylamino)-3-prop-2-enylsulfanyl-propanoic acid Openeye Name: 3-allylsulfanyl-2-benzoylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-(benzoylthio)-2-[(1-oxo-3-phenylpropyl)amino]-3-(prop-2-enylthio)propanoic acid IUPAC Name: 2-benzoylsulfanyl-2-(3-phenylpropanoylamino)-3-prop-2-enylsulfanylpropanoic acid Traditional Name: 3-(allylthio)-2-(benzoylthio)-2-(hydrocinnamoylamino)propionic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(C(=O)O)(NC(=O)CCC1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCSCC(C(=O)O)(NC(=O)CCC1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23NO4S2/c1-2-15-28-16-22(21(26)27,29-20(25)18-11-7-4-8-12-18)23-19(24)14-13-17-9-5-3-6-10-17/h2-12H,1,13-16H2,(H,23,24)(H,26,27)