2-[(2-oxidanylidene-3-propan-2-yloxycarbonyl-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(2-oxidanylidene-3-propan-2-yloxycarbonyl-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[(3-isopropoxycarbonyl-2-oxo-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid CAS Name: 2-[[oxo-[2-oxo-3-[oxo(propan-2-yloxy)methyl]-1,3-diazinan-1-yl]methyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(2-oxo-3-propan-2-yloxycarbonyl-1,3-diazinane-1-carbonyl)amino]-2-phenylacetic acid Traditional Name: 2-[(3-isopropoxycarbonyl-2-keto-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21N3O6/c1-11(2)26-17(25)20-10-6-9-19(16(20)24)15(23)18-13(14(21)22)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,23)(H,21,22)