(2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 111113-73-6]

Identification

• Name: (2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[2-(2-Amino-4-Oxo-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Ethylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2-Amino-4-Keto-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Ethylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Ethylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₂N₆O₆
• Molecular Weight: 454.44
• CAS Registry Number: 111113-73-6
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)NCCC3=CC=C2NC(=NC(C2=N3)=O)N)=O)CCC(=O)O
• InChI: 1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)/t15-/m0/s1
• InChIKey: NHMPJFQQAWJNNS-HNNXBMFYSA-N

Properties

• Density: 1.574g/cm³ (Cal.)