1-[2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(1-carboxy-3-phenyl-propyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)thio]propanoyl]proline Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)SC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)SC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H23NO5S/c1-12(16(20)19-11-5-8-14(19)17(21)22)25-15(18(23)24)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,21,22)(H,23,24)