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

Systemtic Name: (3S)-4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonylamino]-3-phenyl-butanoate Openeye Name: (3S)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenyl-butanoate CAS Name: (3S)-4-[[(2,4-dioxo-1H-pyrimidin-6-yl)-oxomethyl]amino]-3-phenylbutanoate IUPAC Name: (3S)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate Traditional Name: (3S)-4-[(2,4-diketo-1H-pyrimidine-6-carbonyl)amino]-3-phenyl-butyrate Formula: C15H14N3O5- MolecularWeight: 316.28876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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-1/t10-/m1/s1