Iron(3+) cyclo{glycyl-N⁵-[(2Z)-4-carboxy-3-methyl-2-butenoyl]-N⁵-oxidoornithyl-N⁵-[(2E)-4-carboxy-3-methyl-2-butenoyl]-N⁵-oxidoornithyl-N⁵-[(2Z)-4-carboxy-3-methyl-2-butenoyl]-N⁵-oxidoorni thylserylseryl}

More details:

• Systematic name

  Iron(3+) cyclo{glycyl-N~5~-[(2Z)-4-carboxy-3-methyl-2-butenoyl]-N~5~-oxidoornithyl-N~5~-[(2E)-4-carboxy-3-methyl-2-butenoyl]-N~5~-oxidoornithyl-N~5~-[(2Z)-4-carboxy-3-methyl-2-butenoyl]-N~5~-oxidoorni thylserylseryl}

• SMILES

  C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)/C=C(/C)\CC(=O)O)[O-])CCCN(C(=O)/C=C(\C)/CC(=O)O)[O-])[O-])/CC(=O)O.[Fe+3]

• Std. InChi

  InChI=1S/C41H58N9O20.Fe/c1-22(16-34(57)58)13-31(54)48(68)10-4-7-25-38(64)44-26(8-5-11-49(69)32(55)14-23(2)17-35(59)60)39(65)45-27(9-6-12-50(70)33(56)15-24(3)18-36(61)62)40(66)47-29(21-52)41(67)46-28(20-51)37(63)42-19-30(53)43-25;/h13-15,25-29,51-52H,4-12,16-21H2,1-3H3,(H,42,63)(H,43,53)(H,44,64)(H,45,65)(H,46,67)(H,47,66)(H,57,58)(H,59,60)(H,61,62);/q-3;+3/b22-13-,23-14+,24-15-;

• Std. InChIKey

  GLLVIRNJIQOQJW-LDEMJYSLSA-N

• Cite this record

  CSID:4952558, http://www.chemspider.com/Chemical-Structure.4952558.html (accessed 05:58, Jun 17, 2024)