[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CC(=O)NC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)N1CC(=O)NC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-13(22-21(29)23-15-8-4-3-5-9-15)20(28)30-14(2)19(27)25-12-18(26)24-16-10-6-7-11-17(16)25/h3-11,13-14H,12H2,1-2H3,(H,24,26)(H2,22,23,29)/t13-,14-/m0/s1