2-acetamido-4-oxidanylidene-4-phenylazanyl-butanoic acid; 3-acetamido-4-oxidanylidene-4-phenylazanyl-butanoic acid

Systemtic Name: 2-acetamido-4-oxidanylidene-4-phenylazanyl-butanoic acid; 3-acetamido-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 2-acetamido-4-anilino-4-oxo-butanoic acid; 3-acetamido-4-anilino-4-oxo-butanoic acid CAS Name: 2-acetamido-4-anilino-4-oxobutanoic acid; 3-acetamido-4-anilino-4-oxobutanoic acid IUPAC Name: 2-acetamido-4-anilino-4-oxobutanoic acid; 3-acetamido-4-anilino-4-oxobutanoic acid Traditional Name: 2-acetamido-4-anilino-4-keto-butyric acid; 3-acetamido-4-anilino-4-keto-butyric acid Formula: C24H28N4O8 MolecularWeight: 500.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)O.CC(=O)NC(CC(=O)O)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)O.CC(=O)NC(CC(=O)O)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/2C12H14N2O4/c1-8(15)13-10(7-11(16)17)12(18)14-9-5-3-2-4-6-9;1-8(15)13-10(12(17)18)7-11(16)14-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,15)(H,14,18)(H,16,17);2-6,10H,7H2,1H3,(H,13,15)(H,14,16)(H,17,18)