[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N)C(=O)N

InChI

InChI=1S/C21H22N4O6/c22-20(28)17-11-25(15-8-4-5-9-16(15)31-17)18(26)12-30-19(27)10-14(24-21(23)29)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2,(H2,22,28)(H3,23,24,29)