(2S)-2-[[4-[(2,4-Diaminofuro[5,4-d]Pyrimidin-5-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 156595-85-6]

Identification

• Name: (2S)-2-[[4-[(2,4-Diaminofuro[5,4-d]Pyrimidin-5-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diaminofuro[5,4-D]Pyrimidin-5-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-5-Furo[5,4-D]Pyrimidinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2,4-Diaminofuro[5,4-D]Pyrimidin-5-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₂N₆O₆
• Molecular Weight: 442.43
• CAS Registry Number: 156595-85-6
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC1=COC2=C1C(=NC(=N2)N)N)C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1
• InChIKey: WXINNGCGSCFUCR-ZDUSSCGKSA-N

Properties

• Density: 1.515g/cm³ (Cal.)