2-[[4-[2-(2-azanyl-4-oxidanylidene-5,6-dihydro-1H-pteridin-6-yl)ethoxy]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-(2-azanyl-4-oxidanylidene-5,6-dihydro-1H-pteridin-6-yl)ethoxy]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(2-amino-4-oxo-5,6-dihydro-1H-pteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(2-amino-4-oxo-5,6-dihydro-1H-pteridin-6-yl)ethoxy]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-5,6-dihydro-1H-pteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(2-amino-4-keto-5,6-dihydro-1H-pteridin-6-yl)ethoxy]benzoyl]amino]glutaric acid Formula: C20H22N6O7 MolecularWeight: 458.42468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)OCCC2C=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)OCCC2C=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H22N6O7/c21-20-25-16-15(18(30)26-20)23-11(9-22-16)7-8-33-12-3-1-10(2-4-12)17(29)24-13(19(31)32)5-6-14(27)28/h1-4,9,11,13,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)