(2S)-1-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]-5-keto-proline Formula: C19H17N7O5 MolecularWeight: 423.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)O)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CC(=O)N([C@@H]1C(=O)O)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C19H17N7O5/c20-19-24-15-14(16(28)25-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(29)26-12(18(30)31)5-6-13(26)27/h1-4,8,12,21H,5-7H2,(H,30,31)(H3,20,22,24,25,28)/t12-/m0/s1