[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7/c1-13(22-19(25)11-28-15-5-3-2-4-6-15)21(27)30-10-17(24)14-7-8-18-16(9-14)23-20(26)12-29-18/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1