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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1S)-2-(tert-butylamino)-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-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-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-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-11(16(23)21-18(2,3)4)25-15(22)10-9-14-19-13-8-6-5-7-12(13)17(24)20-14/h5-8,11H,9-10H2,1-4H3,(H,21,23)(H,19,20,24)/t11-/m0/s1