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

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-1H-pteridin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C19H18N6O6 MolecularWeight: 426.38282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=CN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=CN3

InChI

InChI=1S/C19H18N6O6/c26-14(27)6-5-13(19(30)31)25-17(28)10-1-3-11(4-2-10)20-7-12-8-21-16-15(24-12)18(29)23-9-22-16/h1-4,8-9,13,20H,5-7H2,(H,25,28)(H,26,27)(H,30,31)(H,21,22,23,29)/t13-/m0/s1