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

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-3-phenoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-3-phenoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-3-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-3-phenoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-3-phenoxy-proline Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCC(C1C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1CCC(C1C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4S/c1-10(9-21)14(17)16-8-7-12(13(16)15(18)19)20-11-5-3-2-4-6-11/h2-6,10,12-13,21H,7-9H2,1H3,(H,18,19)