(2R,4R)-4-methoxy-2-methyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4R)-4-methoxy-2-methyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R,4R)-1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-methoxy-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: (2R,4R)-1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-methoxy-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4R)-1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid Traditional Name: (2R,4R)-1-[3-(benzoylthio)-2-methyl-propanoyl]-4-methoxy-2-methyl-proline Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2(C)C(=O)O)OC

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@@H](C[C@]2(C)C(=O)O)OC

InChI

InChI=1S/C18H23NO5S/c1-12(11-25-16(21)13-7-5-4-6-8-13)15(20)19-10-14(24-3)9-18(19,2)17(22)23/h4-8,12,14H,9-11H2,1-3H3,(H,22,23)/t12?,14-,18-/m1/s1