(2S)-4-(4-methylphenyl)-4-oxidanyl-1-(4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-(4-methylphenyl)-4-oxidanyl-1-(4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-4-(p-tolyl)-1-(4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(4-mercapto-1-oxobutyl)-4-(4-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-4-(4-methylphenyl)-1-(4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(4-mercaptobutanoyl)-4-(p-tolyl)proline Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(N(C2)C(=O)CCCS)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(C[C@H](N(C2)C(=O)CCCS)C(=O)O)O

InChI

InChI=1S/C16H21NO4S/c1-11-4-6-12(7-5-11)16(21)9-13(15(19)20)17(10-16)14(18)3-2-8-22/h4-7,13,21-22H,2-3,8-10H2,1H3,(H,19,20)/t13-,16?/m0/s1