N-(4-((3-(2,4-Diamino-1,6-Dihydro-6-Oxo-5-Pyrimidinyl)Propyl)Amino)Benzoyl)Glutamic Acid
[CAS# 118252-44-1]

Identification

• Name: N-(4-((3-(2,4-Diamino-1,6-Dihydro-6-Oxo-5-Pyrimidinyl)Propyl)Amino)Benzoyl)Glutamic Acid
• Synonyms: (2S)-2-[[[4-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[3-(2,4-Diamino-6-Keto-3H-Pyrimidin-5-Yl)Propylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₉H₂₄N₆O₆
• Molecular Weight: 432.44
• CAS Registry Number: 118252-44-1
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)NCCCC2=C(NC(=NC2=O)N)N)=O)CCC(=O)O
• InChI: 1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
• InChIKey: CPVRCGLCOADOPV-ZDUSSCGKSA-N

Properties

• Density: 1.56g/cm³ (Cal.)