3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-(phenylalanylamino)butyric acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C=O)N

InChI

InChI=1S/C13H16N2O4/c14-11(6-9-4-2-1-3-5-9)13(19)15-10(8-16)7-12(17)18/h1-5,8,10-11H,6-7,14H2,(H,15,19)(H,17,18)