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

Systemtic Name: 2-[[4-[(2-methyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-methyl-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-methyl-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-methyl-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-2-methyl-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H20N6O6/c1-10-23-17-16(19(30)24-10)25-13(9-22-17)8-21-12-4-2-11(3-5-12)18(29)26-14(20(31)32)6-7-15(27)28/h2-5,9,14,21H,6-8H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,22,23,24,30)