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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)carbonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridine-6-carbonyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-pteridin-6-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridine-6-carbonyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridine-6-carbonyl)amino]benzoyl]amino]glutaric acid Formula: C19H17N7O7 MolecularWeight: 455.38098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H17N7O7/c20-19-25-14-13(17(31)26-19)23-11(7-21-14)16(30)22-9-3-1-8(2-4-9)15(29)24-10(18(32)33)5-6-12(27)28/h1-4,7,10H,5-6H2,(H,22,30)(H,24,29)(H,27,28)(H,32,33)(H3,20,21,25,26,31)