[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R)-2,7-bis(2-amino-2-oxo-ethyl)-3,8,13,17-tetrakis(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-yl]cobalt

More details:

• Systematic name

  [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R)-2,7-bis(2-amino-2-oxo-ethyl)-3,8,13,17-tetrakis(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-yl]cobalt

• SMILES

  [Co]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=NC([C@H](CC(O)=O)[C@@]5(C)CCC(O)=O)[C@@]1(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(O)=O)\[C@@H](CCC(O)=O)C4(C)C)/[C@@H](CCC(O)=O)[C@]3(C)CC(N)=O C/C/1=C/2\[C@H]([C@]([C@@](N2[Co])(C3[C@@H]([C@@](C(=N3)/C(=C\4/[C@H](C(C(=N4)/C=C\5/[C@H]([C@](C1=N5)(C)CC(=O)N)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)N)CCC(=O)O

• Std. InChi

  InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;/m1./s1

• Std. InChIKey

  NKLHEMWEQJCPPF-YYYLUSCNSA-M

• Cite this record

  CSID:59651626, http://www.chemspider.com/Chemical-Structure.59651626.html (accessed 18:46, May 16, 2024)