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

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-amino-3-phenylpropanoic acid; 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4.C9H11NO2/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17;10-8(9(11)12)6-7-4-2-1-3-5-7/h8H,4-7H2,1-3H3,(H,16,17);1-5,8H,6,10H2,(H,11,12)