2-[(4-aminophenyl)carbonyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanedioic acid

Systemtic Name: 2-[(4-aminophenyl)carbonyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanedioic acid Openeye Name: 2-[(4-aminobenzoyl)-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-[(4-aminophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-aminobenzoyl)-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[(4-aminobenzoyl)-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C26H24N8O7 MolecularWeight: 560.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)N

InChI

InChI=1S/C26H24N8O7/c27-15-5-1-13(2-6-15)23(38)34(18(25(40)41)9-10-19(35)36)24(39)14-3-7-16(8-4-14)29-11-17-12-30-21-20(31-17)22(37)33-26(28)32-21/h1-8,12,18,29H,9-11,27H2,(H,35,36)(H,40,41)(H3,28,30,32,33,37)