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

Systemtic Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)-4-[4-(methylthio)benzyl]proline Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S2/c1-11(9-23)15(19)18-10-17(22,8-14(18)16(20)21)7-12-3-5-13(24-2)6-4-12/h3-6,11,14,22-23H,7-10H2,1-2H3,(H,20,21)/t11?,14-,17?/m0/s1