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

Systemtic Name: (2S)-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)propanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)propanoyl]amino]succinate Formula: C15H13N3O6-2 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H15N3O6/c1-8(13(21)17-11(15(23)24)6-12(19)20)18-7-16-10-5-3-2-4-9(10)14(18)22/h2-5,7-8,11H,6H2,1H3,(H,17,21)(H,19,20)(H,23,24)/p-2/t8-,11-/m0/s1