1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-[(1-oxo-2-phenylethyl)thio]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-[(2-phenylacetyl)thio]propanoyl]proline Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-12(16(20)18-9-5-8-14(18)17(21)22)11-23-15(19)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,21,22)