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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-3-iodanyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-iodo-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-iodophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-iodobenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-3-iodo-benzoyl]amino]glutaric acid Formula: C19H18IN7O6 MolecularWeight: 567.29399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN7O6/c20-10-5-8(16(30)25-12(18(32)33)3-4-13(28)29)1-2-11(10)22-6-9-7-23-15-14(24-9)17(31)27-19(21)26-15/h1-2,5,7,12,22H,3-4,6H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)