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

Systemtic Name: 2-[2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]phenyl]acetyl]amino]glutaric acid Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H21N7O6/c21-20-26-17-16(18(31)27-20)24-12(9-23-17)8-22-11-3-1-10(2-4-11)7-14(28)25-13(19(32)33)5-6-15(29)30/h1-4,9,13,22H,5-8H2,(H,25,28)(H,29,30)(H,32,33)(H3,21,23,26,27,31)