4-azanyl-3-(carboxyamino)-4-oxidanylidene-2-phenethyl-butanoic acid

Systemtic Name: 4-azanyl-3-(carboxyamino)-4-oxidanylidene-2-phenethyl-butanoic acid Openeye Name: 4-amino-3-(carboxyamino)-4-oxo-2-phenethyl-butanoic acid CAS Name: 4-amino-3-(carboxyamino)-4-oxo-2-phenethylbutanoic acid IUPAC Name: 4-amino-3-(carboxyamino)-4-oxo-2-phenethylbutanoic acid Traditional Name: 4-amino-3-(carboxyamino)-4-keto-2-phenethyl-butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c14-11(16)10(15-13(19)20)9(12(17)18)7-6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,14,16)(H,17,18)(H,19,20)