(2S,4R)-4-(4-methylphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-(4-methylphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(p-tolyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(4-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(4-methylphenyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-(p-tolyl)proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(N(C2)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C[C@H](N(C2)C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-3-5-12(6-4-10)13-7-14(16(19)20)17(8-13)15(18)11(2)9-21/h3-6,11,13-14,21H,7-9H2,1-2H3,(H,19,20)/t11?,13-,14-/m0/s1