5-(3,4-dimethoxyphenyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(3,4-dimethoxyphenyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(3,4-dimethoxyphenyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(3,4-dimethoxyphenyl)-1-(3-mercapto-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(3,4-dimethoxyphenyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(3,4-dimethoxyphenyl)-1-(3-mercaptopropanoyl)proline Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(N2C(=O)CCS)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(N2C(=O)CCS)C(=O)O)OC

InChI

InChI=1S/C16H21NO5S/c1-21-13-6-3-10(9-14(13)22-2)11-4-5-12(16(19)20)17(11)15(18)7-8-23/h3,6,9,11-12,23H,4-5,7-8H2,1-2H3,(H,19,20)