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

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]glutarate Formula: C18H19N3O6-2 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-10(2)15(16(24)20-13(18(26)27)7-8-14(22)23)21-9-19-12-6-4-3-5-11(12)17(21)25/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,20,24)(H,22,23)(H,26,27)/p-2/t13-,15-/m0/s1