1-[5-azanyl-5-oxidanylidene-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-azanyl-5-oxidanylidene-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-amino-2-benzyl-5-oxo-pentanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[5-amino-1,5-dioxo-2-(phenylmethyl)pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-amino-2-benzyl-5-oxopentanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(5-amino-2-benzyl-5-keto-pentanoyl)proline Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c18-15(20)9-8-13(11-12-5-2-1-3-6-12)16(21)19-10-4-7-14(19)17(22)23/h1-3,5-6,13-14H,4,7-11H2,(H2,18,20)(H,22,23)