4-phenylmethoxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-phenylmethoxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-benzyloxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(mercaptomethyl)-1-oxobutyl]-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-phenylmethoxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-benzoxy-1-[2-(mercaptomethyl)butanoyl]proline Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS)C(=O)N1CC(CC1C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(CS)C(=O)N1CC(CC1C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4S/c1-2-13(11-23)16(19)18-9-14(8-15(18)17(20)21)22-10-12-6-4-3-5-7-12/h3-7,13-15,23H,2,8-11H2,1H3,(H,20,21)