(3S)-4-[(2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]-3-phenyl-butanoate

Systemtic Name: (3S)-4-[(2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]-3-phenyl-butanoate Openeye Name: (3S)-4-[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]-3-phenyl-butanoate CAS Name: (3S)-4-[[(2-oxido-4-oxo-1H-pyrimidin-6-yl)-oxomethyl]amino]-3-phenylbutanoate IUPAC Name: (3S)-4-[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate Traditional Name: (3S)-4-[(4-keto-2-oxido-1H-pyrimidine-6-carbonyl)amino]-3-phenyl-butyrate Formula: C15H13N3O5-2 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CNC(=O)C2=CC(=O)N=C(N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CNC(=O)C2=CC(=O)N=C(N2)[O-]

InChI

InChI=1S/C15H15N3O5/c19-12-7-11(17-15(23)18-12)14(22)16-8-10(6-13(20)21)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,16,22)(H,20,21)(H2,17,18,19,23)/p-2/t10-/m1/s1