1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; (phenylmethyl) 2-azanyl-3-phenyl-propanoate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; (phenylmethyl) 2-azanyl-3-phenyl-propanoate Openeye Name: benzyl 2-amino-3-phenyl-propanoate; 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-amino-3-phenylpropanoic acid (phenylmethyl) ester; 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid IUPAC Name: benzyl 2-amino-3-phenylpropanoate; 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-amino-3-phenyl-propionic acid benzyl ester; 1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C28H36N2O6 MolecularWeight: 496.59524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C16H17NO2.C12H19NO4/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h1-10,15H,11-12,17H2;8H,4-7H2,1-3H3,(H,16,17)