(2S)-2-[[4-[3-(2,4-Diamino-7H-Pyrrolo[4,5-e]Pyrimidin-5-Yl)Propyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 125991-51-7]

Identification

• Name: (2S)-2-[[4-[3-(2,4-Diamino-7H-Pyrrolo[4,5-e]Pyrimidin-5-Yl)Propyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[3-(2,4-Diamino-7H-Pyrrolo[4,5-E]Pyrimidin-5-Yl)Propyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[3-(2,4-Diamino-7H-Pyrrolo[4,5-E]Pyrimidin-5-Yl)Propyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[3-(2,4-Diamino-7H-Pyrrolo[4,5-E]Pyrimidin-5-Yl)Propyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₄N₆O₅
• Molecular Weight: 440.46
• CAS Registry Number: 125991-51-7
• SMILES: [C@@H](NC(=O)C3=CC=C(CCCC1=C[NH]C2=NC(=NC(=C12)N)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C21H24N6O5/c22-17-16-13(10-24-18(16)27-21(23)26-17)3-1-2-11-4-6-12(7-5-11)19(30)25-14(20(31)32)8-9-15(28)29/h4-7,10,14H,1-3,8-9H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)/t14-/m0/s1
• InChIKey: WLGCEMWNUHSIIS-AWEZNQCLSA-N

Properties

• Density: 1.474g/cm³ (Cal.)