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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-4-[(4-methoxyphenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-4-[(4-methoxyphenyl)thio]proline Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO4S2/c1-10(9-22)15(18)17-8-13(7-14(17)16(19)20)23-12-5-3-11(21-2)4-6-12/h3-6,10,13-14,22H,7-9H2,1-2H3,(H,19,20)