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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H23N7O6/c22-21-27-17-16(19(32)28-21)25-13(10-24-17)2-1-9-23-12-5-3-11(4-6-12)18(31)26-14(20(33)34)7-8-15(29)30/h3-6,10,14,23H,1-2,7-9H2,(H,26,31)(H,29,30)(H,33,34)(H3,22,24,27,28,32)