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

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6/c1-12-24-17-7-2-13(10-16(17)21(30)25-12)11-23-15-5-3-14(4-6-15)20(29)26-18(22(31)32)8-9-19(27)28/h2-7,10,18,23H,8-9,11H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)/t18-/m0/s1