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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-nitroso-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-nitroso-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-nitrosoamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-nitrosoamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-nitroso-amino]benzoyl]amino]glutaric acid Formula: C19H18N8O7 MolecularWeight: 470.39562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)N=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)N=O

InChI

InChI=1S/C19H18N8O7/c20-19-24-15-14(17(31)25-19)22-10(7-21-15)8-27(26-34)11-3-1-9(2-4-11)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,23,30)(H,28,29)(H,32,33)(H3,20,21,24,25,31)