(2S)-1-[2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-oxo-quinazolin-3-yl]aziridine-2-carboxylic acid CAS Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid IUPAC Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxoquinazolin-3-yl]aziridine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC2=CC=CC=C2C(=O)N1N3CC3C(=O)O)O

Isomeric SMILES

CC(C)(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1N3C[C@H]3C(=O)O)O

InChI

InChI=1S/C16H19N3O4/c1-16(2,3)12(20)13-17-10-7-5-4-6-9(10)14(21)19(13)18-8-11(18)15(22)23/h4-7,11-12,20H,8H2,1-3H3,(H,22,23)/t11-,12+,18?/m0/s1