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

Systemtic Name: (2S)-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-benzoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-benzoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(benzoylthio)-2-methyl-propanoyl]proline Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-11(10-22-16(21)12-6-3-2-4-7-12)14(18)17-9-5-8-13(17)15(19)20/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,20)/t11?,13-/m0/s1