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

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

CC(C1=CN=C2C(=N1)C(=O)N=C(N2)N)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CN=C2C(=N1)C(=O)N=C(N2)N)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N7O6/c1-9(13-8-22-16-15(24-13)18(31)27-20(21)26-16)23-11-4-2-10(3-5-11)17(30)25-12(19(32)33)6-7-14(28)29/h2-5,8-9,12,23H,6-7H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,21,22,26,27,31)