2-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methyl]-2-[azanyl(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name: 2-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methyl]-2-[azanyl(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[amino(benzoyl)amino]-2-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]pentanedioic acid CAS Name: 2-[amino(benzoyl)amino]-2-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]pentanedioic acid IUPAC Name: 2-[amino(benzoyl)amino]-2-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]pentanedioic acid Traditional Name: 2-[amino(benzoyl)amino]-2-[(2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl)methyl]glutaric acid Formula: C20H23N7O7 MolecularWeight: 473.43932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CC(CCC(=O)O)(C(=O)O)N(C(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CC(CCC(=O)O)(C(=O)O)N(C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H23N7O7/c21-19-24-15-14(16(31)25-19)26(10-28)12(9-23-15)8-20(18(33)34,7-6-13(29)30)27(22)17(32)11-4-2-1-3-5-11/h1-5,10,12H,6-9,22H2,(H,29,30)(H,33,34)(H4,21,23,24,25,31)