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

Systemtic Name: 2-[[4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-4-keto-1H-pteridin-6-yl)propyl]benzoyl]amino]glutaric acid Formula: C21H22N6O6 MolecularWeight: 454.43598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,10,14H,1-3,8-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,23,26,27,31)