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

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)propanoyl]amino]-3-methyl-butyrate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-9(2)13(16(22)23)18-14(20)10(3)19-8-17-12-7-5-4-6-11(12)15(19)21/h4-10,13H,1-3H3,(H,18,20)(H,22,23)/p-1/t10-,13-/m0/s1