(2S)-2-[[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-1-oxopentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(2,4-diketo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]amino]glutarate Formula: C19H21N3O7-2 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])N1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C19H23N3O7/c1-10(2)9-14(16(25)20-13(18(27)28)7-8-15(23)24)22-17(26)11-5-3-4-6-12(11)21-19(22)29/h3-6,10,13-14H,7-9H2,1-2H3,(H,20,25)(H,21,29)(H,23,24)(H,27,28)/p-2/t13-,14-/m0/s1