2-[3-methyl-2-oxidanylidene-3-(2-phenyl-1-sulfanyl-ethyl)pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[3-methyl-2-oxidanylidene-3-(2-phenyl-1-sulfanyl-ethyl)pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-methyl-2-oxo-3-(2-phenyl-1-sulfanyl-ethyl)pyrrolidin-1-yl]propanoic acid CAS Name: 2-[3-(1-mercapto-2-phenylethyl)-3-methyl-2-oxo-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[3-methyl-2-oxo-3-(2-phenyl-1-sulfanylethyl)pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-(1-mercapto-2-phenyl-ethyl)-3-methyl-pyrrolidino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(C1=O)(C)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC(C(=O)O)N1CCC(C1=O)(C)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C16H21NO3S/c1-11(14(18)19)17-9-8-16(2,15(17)20)13(21)10-12-6-4-3-5-7-12/h3-7,11,13,21H,8-10H2,1-2H3,(H,18,19)