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

Systemtic Name: 2-(2-azanylethyl)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-(2-aminoethyl)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-(2-aminoethyl)-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-(2-aminoethyl)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-(2-aminoethyl)-4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C21H24N8O6 MolecularWeight: 484.46526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(CCN)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(CCN)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H24N8O6/c22-6-5-11(19(32)33)7-14(20(34)35)27-17(30)10-1-3-12(4-2-10)24-8-13-9-25-16-15(26-13)18(31)29-21(23)28-16/h1-4,9,11,14,24H,5-8,22H2,(H,27,30)(H,32,33)(H,34,35)(H3,23,25,28,29,31)