3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylic acid

Systemtic Name: 3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylic acid Openeye Name: 3-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-1-(2-ethyl-4-oxo-quinazolin-3-yl)aziridine-2-carboxylic acid CAS Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-(2-ethyl-4-oxo-3-quinazolinyl)-2-aziridinecarboxylic acid IUPAC Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-(2-ethyl-4-oxoquinazolin-3-yl)aziridine-2-carboxylic acid Traditional Name: 3-[(3S)-3-amino-4-hydroxy-4-keto-butyl]-1-(2-ethyl-4-keto-quinazolin-3-yl)ethylenimine-2-carboxylic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)O)CCC(C(=O)O)N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H20N4O5/c1-2-13-19-11-6-4-3-5-9(11)15(22)21(13)20-12(14(20)17(25)26)8-7-10(18)16(23)24/h3-6,10,12,14H,2,7-8,18H2,1H3,(H,23,24)(H,25,26)/t10-,12?,14?,20?/m0/s1