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

Systemtic Name: 2-[[4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-2-methyl-propyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)-2-methyl-propyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)-2-methylpropyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)-2-methylpropyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-4-keto-1H-pteridin-6-yl)-2-methyl-propyl]benzoyl]amino]glutaric acid Formula: C22H24N6O6 MolecularWeight: 468.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C22H24N6O6/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/h2-5,10-11,15H,6-9H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H3,23,24,27,28,32)