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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CC3=C(C=C2)NC(=NC3=O)N)C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CC3=C(C=C2)NC(=NC3=O)N)C=O

InChI

InChI=1S/C22H21N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)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)