1-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]proline Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-12(19)23-11-14(10-13-6-3-2-4-7-13)16(20)18-9-5-8-15(18)17(21)22/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,21,22)