Iron(3+) hydrogen N⁵-acetyl-N⁵-oxido-L-ornithyl-N⁵-acetyl-N⁵-oxido-L-ornithyl-N⁵-acetyl-N⁵-oxido-L-ornithyl-N-[(1R,2S)-2-{(2R,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydr o-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-1-carboxylato-2-hydroxyethyl]-L-serinamide (1:1:1)

More details:

• Systematic name

  Iron(3+) hydrogen N~5~-acetyl-N~5~-oxido-L-ornithyl-N~5~-acetyl-N~5~-oxido-L-ornithyl-N~5~-acetyl-N~5~-oxido-L-ornithyl-N-[(1R,2S)-2-{(2R,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydr o-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-1-carboxylato-2-hydroxyethyl]-L-serinamide (1:1:1)

• SMILES

  [H+].CC(=O)N(CCC[C@@H](C(=O)N[C@@H](CCCN(C(=O)C)[O-])C(=O)N[C@@H](CCCN(C(=O)C)[O-])C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H]([C@@H]1[C@@H]([C@H]([C@@H](S1)n2cc/c(=N\C(=O)N)/n(c2=O)C)O)O)O)C(=O)[O-])N)[O-].[Fe+3]

• Std. InChi

  InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./s1

• Std. InChIKey

  RQZRKFJHRUDTLB-IDJYBIRTSA-N

• Cite this record

  CSID:34990975, http://www.chemspider.com/Chemical-Structure.34990975.html (accessed 11:41, Apr 24, 2024)