(2S)-3-azanylidene-2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-pentanedioic acid

Systemtic Name: (2S)-3-azanylidene-2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-pentanedioic acid Openeye Name: (2S)-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-3-imino-pentanedioic acid CAS Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-3-iminopentanedioic acid IUPAC Name: (2S)-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-3-iminopentanedioic acid Traditional Name: (2S)-2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]-3-imino-glutaric acid Formula: C19H17N7O6 MolecularWeight: 439.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O6/c20-11(5-12(27)28)13(18(31)32)15(29)8-1-3-9(4-2-8)22-6-10-7-23-16-14(24-10)17(30)26-19(21)25-16/h1-4,7,13,20,22H,5-6H2,(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t13-/m0/s1