4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-3-(carboxyamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-3-(carboxyamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-amino-1-methyl-2-oxo-1-phenyl-ethyl)amino]-3-(carboxyamino)-4-oxo-butanoic acid CAS Name: 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-3-(carboxyamino)-4-oxobutanoic acid IUPAC Name: 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-3-(carboxyamino)-4-oxobutanoic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-1-phenyl-ethyl)amino]-3-(carboxyamino)-4-keto-butyric acid Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-14(12(15)21,8-5-3-2-4-6-8)17-11(20)9(7-10(18)19)16-13(22)23/h2-6,9,16H,7H2,1H3,(H2,15,21)(H,17,20)(H,18,19)(H,22,23)