[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O6/c1-22-21(28)23-20(27)19(14-7-3-2-4-8-14)30-18(26)11-12-24-15-9-5-6-10-16(15)29-13-17(24)25/h2-10,19H,11-13H2,1H3,(H2,22,23,27,28)/t19-/m0/s1