1-(3-ethanoylsulfanylpropanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-(1-phenylethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-(1-phenylethyl)proline Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(N(C1)C(=O)CCSC(=O)C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C1CC(N(C1)C(=O)CCSC(=O)C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H23NO4S/c1-12(14-6-4-3-5-7-14)15-10-16(18(22)23)19(11-15)17(21)8-9-24-13(2)20/h3-7,12,15-16H,8-11H2,1-2H3,(H,22,23)