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

Systemtic Name: 4-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-ketoquinazolin-3-yl)propanoyl]amino]butyrate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-10(14(21)16-8-4-7-13(19)20)18-9-17-12-6-3-2-5-11(12)15(18)22/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,21)(H,19,20)/p-1/t10-/m0/s1