(2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-hydroxy-4-[[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-hydroxy-4-[4-(methylthio)benzyl]proline Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)(CC2=CC=C(C=C2)SC)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(C[C@H]1C(=O)O)(CC2=CC=C(C=C2)SC)O

InChI

InChI=1S/C19H25NO5S2/c1-12(10-27-13(2)21)17(22)20-11-19(25,9-16(20)18(23)24)8-14-4-6-15(26-3)7-5-14/h4-7,12,16,25H,8-11H2,1-3H3,(H,23,24)/t12?,16-,19?/m0/s1