2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-prop-2-enylsulfanyl-propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-prop-2-enylsulfanyl-propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-allylsulfanyl-propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(prop-2-enylthio)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-prop-2-enylsulfanylpropanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(allylthio)propionic acid Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSCC=C)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSCC=C)C(=O)O

InChI

InChI=1S/C18H23NO4S2/c1-3-9-24-12-16(18(22)23)19-17(21)15(11-25-13(2)20)10-14-7-5-4-6-8-14/h3-8,15-16H,1,9-12H2,2H3,(H,19,21)(H,22,23)