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

Systemtic Name: 2-[3-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]propanoylamino]pentanedioic acid Openeye Name: 2-[3-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]propanoylamino]pentanedioic acid CAS Name: 2-[[3-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[3-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]propanoylamino]pentanedioic acid Traditional Name: 2-[3-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]phenyl]propanoylamino]glutaric acid Formula: C21H23N7O6 MolecularWeight: 469.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H23N7O6/c22-21-27-18-17(19(32)28-21)25-13(10-24-18)9-23-12-4-1-11(2-5-12)3-7-15(29)26-14(20(33)34)6-8-16(30)31/h1-2,4-5,10,14,23H,3,6-9H2,(H,26,29)(H,30,31)(H,33,34)(H3,22,24,27,28,32)