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

Systemtic Name: (2S)-1-[(2S,3S)-4-(4-bromophenyl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-3-acetylsulfanyl-4-(4-bromophenyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-3-(acetylthio)-4-(4-bromophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-3-acetylsulfanyl-4-(4-bromophenyl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-3-(acetylthio)-4-(4-bromophenyl)-4-keto-2-methyl-butanoyl]proline Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO5S/c1-10(17(23)20-9-3-4-14(20)18(24)25)16(26-11(2)21)15(22)12-5-7-13(19)8-6-12/h5-8,10,14,16H,3-4,9H2,1-2H3,(H,24,25)/t10-,14+,16+/m1/s1