(2S)-2-[6-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid

Systemtic Name: (2S)-2-[6-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid Openeye Name: (2S)-2-[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid CAS Name: (2S)-2-[6-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid IUPAC Name: (2S)-2-[6-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid Traditional Name: (2S)-2-[1-keto-5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methylamino]isoindolin-2-yl]glutaric acid Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC4=C(C=C3)C(=O)N(C4)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H22N4O6/c1-12-25-18-5-2-13(8-17(18)21(30)26-12)10-24-15-3-4-16-14(9-15)11-27(22(16)31)19(23(32)33)6-7-20(28)29/h2-5,8-9,19,24H,6-7,10-11H2,1H3,(H,28,29)(H,32,33)(H,25,26,30)/t19-/m0/s1