Iron(3+) (3E)-5-[{3-[5-(3-{[(2E)-5-Hydroxy-3-Methyl-2-Pentenoyl](Oxido)Amino}Propyl)-3,6-Dioxo-2-Piperazinyl]Propyl}(Oxido)Amino]-3-Methyl-5-Oxo-3-Penten-1-Yl N²-Acetyl-N⁵-[(2E)-5-Hydroxy-3-Methyl -2-Pentenoyl]-N⁵-Oxidoornithinate
[CAS# 31418-71-0]

Identification

• Name: Iron(3+) (3E)-5-[{3-[5-(3-{[(2E)-5-Hydroxy-3-Methyl-2-Pentenoyl](Oxido)Amino}Propyl)-3,6-Dioxo-2-Piperazinyl]Propyl}(Oxido)Amino]-3-Methyl-5-Oxo-3-Penten-1-Yl N²-Acetyl-N⁵-[(2E)-5-Hydroxy-3-Methyl -2-Pentenoyl]-N⁵-Oxidoornithinate
• Synonyms: Coprogen
• Molecular Formula: C₃₅H₅₃FeN₆O₁₃
• Molecular Weight: 821.67
• CAS Registry Number: 31418-71-0
• SMILES: C/C(=C\C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)C(CCCN(C(=O)/C=C(\C)/CCO)[O-])NC(=O)C)[O-])[O-])/CCO.[Fe+3]
• InChI: 1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+
• InChIKey: FQIVLXIUJLOKPL-XGINRXDTSA-N

References

• (1): Joshua S. Klein and Oded Lewinson. Bacterial ATP-driven transporters of transition metals: physiological roles, mechanisms of action, and roles in bacterial virulence, Metallomics, 2011, 3, 1098.