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

Systemtic Name: 1-[2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]propanoyl]proline Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C19H24N2O5S/c1-12(18(24)21-10-6-9-15(21)19(25)26)20-17(23)16(27-13(2)22)11-14-7-4-3-5-8-14/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3,(H,20,23)(H,25,26)