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

Systemtic Name: 1-[2-methyl-3-(phenylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-(phenylmethylthio)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzylthio)-2-methyl-propanoyl]proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12(10-21-11-13-6-3-2-4-7-13)15(18)17-9-5-8-14(17)16(19)20/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,19,20)