(2S)-1-[(2S,3S)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3S)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-3-(acetylthio)-4-keto-2-methyl-4-phenyl-butanoyl]proline Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C18H21NO5S/c1-11(17(22)19-10-6-9-14(19)18(23)24)16(25-12(2)20)15(21)13-7-4-3-5-8-13/h3-5,7-8,11,14,16H,6,9-10H2,1-2H3,(H,23,24)/t11-,14+,16+/m1/s1