1-[2-[[3-(2-cyanophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[3-(2-cyanophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-[(2-cyanophenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-(2-cyanophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-(2-cyanophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-(2-cyanobenzyl)-2-hydroxy-2-keto-ethyl]amino]propanoyl]proline Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(CC2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(CC2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C18H21N3O5/c1-11(16(22)21-8-4-7-15(21)18(25)26)20-14(17(23)24)9-12-5-2-3-6-13(12)10-19/h2-3,5-6,11,14-15,20H,4,7-9H2,1H3,(H,23,24)(H,25,26)