2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]pentanedioic acid Openeye Name: 2-[2-(4-oxoquinazolin-3-yl)propanoylamino]pentanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]pentanedioic acid IUPAC Name: 2-[2-(4-oxoquinazolin-3-yl)propanoylamino]pentanedioic acid Traditional Name: 2-[2-(4-ketoquinazolin-3-yl)propanoylamino]glutaric acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H17N3O6/c1-9(14(22)18-12(16(24)25)6-7-13(20)21)19-8-17-11-5-3-2-4-10(11)15(19)23/h2-5,8-9,12H,6-7H2,1H3,(H,18,22)(H,20,21)(H,24,25)