(2S)-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)propanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)propanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)propanoyl]amino]glutarate Formula: C16H15N3O6-2 MolecularWeight: 345.3068

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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

C[C@@H](C(=O)N[C@@H](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)/p-2/t9-,12-/m0/s1