(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-nitroso-amino]pentanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C(CCC(=O)O)C(=O)O)N=O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N([C@@H](CCC(=O)O)C(=O)O)N=O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H18N8O7/c20-19-24-15-14(16(30)25-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(31)27(26-34)12(18(32)33)5-6-13(28)29/h1-4,8,12,21H,5-7H2,(H,28,29)(H,32,33)(H3,20,22,24,25,30)/t12-/m0/s1