2-[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 76937-22-9]

Identification

• Name: 2-[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-5-Methyl-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₅N₇O₆
• Molecular Weight: 459.46
• CAS Registry Number: 76937-22-9
• SMILES: C3=C(NCC2N(C1=C(NC(=NC1=O)N)NC2)C)C=CC(=C3)C(=O)NC(C(=O)O)CCC(=O)O
• InChI: 1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)
• InChIKey: ZNOVTXRBGFNYRX-UHFFFAOYSA-N

Properties

• Density: 1.626g/cm³ (Cal.)