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

Systemtic Name: 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethylamino]benzoyl]amino]glutaric acid Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H21N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,9,13,22H,5-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)