cobaltous;3-[(1R,2S,3S,4Z,7S,11S,17R)-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-10,15-dihydro-3H-corrin-21-id-3-yl]propanoic acid

More details:

• Systematic name

  cobaltous;3-[(1R,2S,3S,4Z,7S,11S,17R)-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-10,15-dihydro-3H-corrin-21-id-3-yl]propanoic acid

• SMILES

  C[C@@]12CC3=C([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@]([N-]4)(C5=C([C@@](C(=N5)CC(=N1)C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O.[Co+2]

• Std. InChi

  InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,40-,41+,42+,43+,44+;/m1./s1

• Std. InChIKey

  DFFFCFUPOVLDTP-IICGDJHVSA-M

• Cite this record

  CSID:4445217, http://www.chemspider.com/Chemical-Structure.4445217.html (accessed 16:55, Apr 26, 2024)