[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C18H23N3O4/c1-11(2)10-19-17(23)12(3)25-16(22)9-8-15-20-14-7-5-4-6-13(14)18(24)21-15/h4-7,11-12H,8-10H2,1-3H3,(H,19,23)(H,20,21,24)/t12-/m0/s1