1-[4-azanyl-4-oxidanylidene-2-(phenylmethyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-azanyl-4-oxidanylidene-2-(phenylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-amino-2-benzyl-4-oxo-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-amino-1,4-dioxo-2-(phenylmethyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-amino-2-benzyl-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-amino-2-benzyl-4-keto-butanoyl)proline Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c17-14(19)10-12(9-11-5-2-1-3-6-11)15(20)18-8-4-7-13(18)16(21)22/h1-3,5-6,12-13H,4,7-10H2,(H2,17,19)(H,21,22)