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

Systemtic Name: 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C21H23N7O6 MolecularWeight: 469.45062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H23N7O6/c1-28(9-8-12-10-23-17-16(24-12)19(32)27-21(22)26-17)13-4-2-11(3-5-13)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,10,14H,6-9H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H3,22,23,26,27,32)