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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(p-tolylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-4-[(4-methylphenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-4-(p-tolylthio)proline Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C16H21NO3S2/c1-10-3-5-12(6-4-10)22-13-7-14(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)