1,12-Dihydroxy-1,6,12,17-Tetraazacyclodocosane-2,5,13,16-Tetrone
[CAS# 112972-60-8]

Identification

• Name: 1,12-Dihydroxy-1,6,12,17-Tetraazacyclodocosane-2,5,13,16-Tetrone
• Synonyms: 1,12-Dihydroxy-1,6,12,17-Tetrazacyclodocosane-2,5,13,16-Diquinone; 1,12-Dihydroxy-1,6,12,17-Tetraazacyclodocosane-2,5,13,16-Tetrone; 1,6,12,17-Tetraazacyclodocosane-2,5,13,16-Tetrone, 6,17-Dihydroxy-
• Molecular Formula: C₁₈H₃₂N₄O₆
• Molecular Weight: 400.47
• CAS Registry Number: 112972-60-8
• SMILES: O=C1NCCCCCN(O)C(CCC(NCCCCCN(C(CC1)=O)O)=O)=O
• InChI: 1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)
• InChIKey: GTADQMQBQBOJIO-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)

References

• (1): Kadi et al.. A new family of ATP-dependent oligomerization-macrocyclization biocatalysts, Nature Chemical Biology, 2007