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

Systemtic Name: 2-[[4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-methanoyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-formyl-amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-formylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-formylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-4-keto-1H-quinazolin-6-yl)-formyl-amino]methyl]benzoyl]amino]glutaric acid Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C=O)C2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C=O)C2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H21N5O7/c23-22-25-16-6-5-14(9-15(16)20(32)26-22)27(11-28)10-12-1-3-13(4-2-12)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17H,7-8,10H2,(H,24,31)(H,29,30)(H,33,34)(H3,23,25,26,32)