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

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]succinate Formula: C17H17N3O6-2 MolecularWeight: 359.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-9(2)14(15(23)19-12(17(25)26)7-13(21)22)20-8-18-11-6-4-3-5-10(11)16(20)24/h3-6,8-9,12,14H,7H2,1-2H3,(H,19,23)(H,21,22)(H,25,26)/p-2/t12-,14-/m0/s1