(2S)-1-[5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-benzyl-5-cyano-4-oxo-pentanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[5-cyano-1,4-dioxo-2-(phenylmethyl)pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-benzyl-5-cyano-4-oxopentanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-benzyl-5-cyano-4-keto-pentanoyl)proline Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)CC(=O)CC#N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CC2=CC=CC=C2)CC(=O)CC#N)C(=O)O

InChI

InChI=1S/C18H20N2O4/c19-9-8-15(21)12-14(11-13-5-2-1-3-6-13)17(22)20-10-4-7-16(20)18(23)24/h1-3,5-6,14,16H,4,7-8,10-12H2,(H,23,24)/t14?,16-/m0/s1