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

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-4-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-methyl-pentanoyl]amino]glutarate Formula: C19H21N3O6-2 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-11(2)9-15(17(25)21-14(19(27)28)7-8-16(23)24)22-10-20-13-6-4-3-5-12(13)18(22)26/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,21,25)(H,23,24)(H,27,28)/p-2/t14-,15-/m0/s1