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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-3-propan-2-yl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-isopropyl-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-propan-2-ylphenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-propan-2-ylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-3-isopropyl-benzoyl]amino]glutaric acid Formula: C22H25N7O6 MolecularWeight: 483.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O6/c1-10(2)13-7-11(19(32)27-15(21(34)35)5-6-16(30)31)3-4-14(13)24-8-12-9-25-18-17(26-12)20(33)29-22(23)28-18/h3-4,7,9-10,15,24H,5-6,8H2,1-2H3,(H,27,32)(H,30,31)(H,34,35)(H3,23,25,28,29,33)