2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-(2-oxidanylideneethyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-(2-oxidanylideneethyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-oxoethyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-oxoethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-oxoethyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-(2-ketoethyl)amino]benzoyl]amino]glutaric acid Formula: C21H21N7O7 MolecularWeight: 483.43414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC=O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC=O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H21N7O7/c22-21-26-17-16(19(33)27-21)24-12(9-23-17)10-28(7-8-29)13-3-1-11(2-4-13)18(32)25-14(20(34)35)5-6-15(30)31/h1-4,8-9,14H,5-7,10H2,(H,25,32)(H,30,31)(H,34,35)(H3,22,23,26,27,33)