(2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 101760-45-6]

Identification

• Name: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₁N₇O₆
• Molecular Weight: 479.45
• CAS Registry Number: 101760-45-6
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)N(CC#C)CC3=NC2=C(NC(=NC2=O)N)N=C3)=O)CCC(=O)O
• InChI: 1S/C22H21N7O6/c1-2-9-29(11-13-10-24-18-17(25-13)20(33)28-22(23)27-18)14-5-3-12(4-6-14)19(32)26-15(21(34)35)7-8-16(30)31/h1,3-6,10,15H,7-9,11H2,(H,26,32)(H,30,31)(H,34,35)(H3,23,24,27,28,33)/t15-/m0/s1
• InChIKey: SQJGTVKPWANJGI-HNNXBMFYSA-N