(2S)-2-[[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 2179-16-0]

Identification

• Name: (2S)-2-[[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[1-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₆
• Molecular Weight: 455.43
• CAS Registry Number: 2179-16-0
• SMILES: [C@H](NC(=O)C3=CC=C(NC(C2=CN=C1NC(=NC(=O)C1=N2)N)C)C=C3)(CCC(O)=O)C(O)=O
• InChI: 1S/C20H21N7O6/c1-9(13-8-22-16-15(24-13)18(31)27-20(21)26-16)23-11-4-2-10(3-5-11)17(30)25-12(19(32)33)6-7-14(28)29/h2-5,8-9,12,23H,6-7H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,21,22,26,27,31)/t9?,12-/m0/s1
• InChIKey: VNZCGWSZJOIBAK-ACGXKRRESA-N

Properties

• Density: 1.647g/cm³ (Cal.)