4-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-oxidanyl-butanoic acid

Systemtic Name: 4-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-oxidanyl-butanoic acid Openeye Name: 4-[[2-(acetylsulfanylmethyl)-3-(o-tolyl)propanoyl]amino]-2-hydroxy-butanoic acid CAS Name: 4-[[2-[(acetylthio)methyl]-3-(2-methylphenyl)-1-oxopropyl]amino]-2-hydroxybutanoic acid IUPAC Name: 4-[[2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-2-hydroxybutanoic acid Traditional Name: 4-[[2-[(acetylthio)methyl]-3-(o-tolyl)propanoyl]amino]-2-hydroxy-butyric acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)NCCC(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)NCCC(C(=O)O)O

InChI

InChI=1S/C17H23NO5S/c1-11-5-3-4-6-13(11)9-14(10-24-12(2)19)16(21)18-8-7-15(20)17(22)23/h3-6,14-15,20H,7-10H2,1-2H3,(H,18,21)(H,22,23)