2-[[4-[3-(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)-2-methyl-propyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)-2-methyl-propyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2-methyl-propyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2-methylpropyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2-methylpropyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)-2-methyl-propyl]benzoyl]amino]glutaric acid Formula: C22H26N6O6 MolecularWeight: 470.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(NC1)NC(=NC2=O)N)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=NC2=C(NC1)NC(=NC2=O)N)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H26N6O6/c1-11(9-14-10-24-18-17(25-14)20(32)28-22(23)27-18)8-12-2-4-13(5-3-12)19(31)26-15(21(33)34)6-7-16(29)30/h2-5,11,15H,6-10H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,23,24,27,28,32)