cobaltous;[(2R,3S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] phosphate

More details:

• Systematic name

  cobaltous;[(2R,3S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] phosphate

• SMILES

  Cc1c(cc2n(cnc2c1)[C@H]3O[C@@H]([C@H](C3O)OP(=O)(O[C@@H](CNC(=O)CC[C@]4(/C/5=C(/C6=N/C(=C\C7=N/C(=C(\C8=N[C@]([C@]([C@@H]8CCC(=O)N)(CC(=O)N)C)([C@@H]([C@@H]4CC(=O)N)[N-]5)C)/C)/[C@]([C@@H]7CCC(=O)N)(CC(=O)N)C)/[C@@]([C@@H]6CCC(=O)N)(C)C)\C)C)C)[O-])CO)C.[Co+2]

• Std. InChi

  InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56-,57+,59-,60+,61+,62+;/m1./s1

• Std. InChIKey

  ASARMUCNOOHMLO-PGHAZYJLSA-L

• Cite this record

  CSID:28534323, http://www.chemspider.com/Chemical-Structure.28534323.html (accessed 00:34, Apr 19, 2024)