2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-propan-2-yl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-propan-2-yl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-isopropyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-propan-2-ylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-propan-2-ylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-isopropyl-amino]benzoyl]amino]glutaric acid Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H27N5O6/c1-13(2)29(12-14-3-8-18-17(11-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)