(2S)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]butanedioate

Systemtic Name: (2S)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]butanedioate Openeye Name: (2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]butanedioate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]butanedioate IUPAC Name: (2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]succinate Formula: C14H11N3O6-2 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H13N3O6/c18-11(16-10(14(22)23)5-12(19)20)6-17-7-15-9-4-2-1-3-8(9)13(17)21/h1-4,7,10H,5-6H2,(H,16,18)(H,19,20)(H,22,23)/p-2/t10-/m0/s1