3-[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R)-3,13,17-tris(2-carboxylatoethyl)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,21-hexahydrocorrin-22,23,24-triium-8-yl]propanoate

More details:

• Systematic name

  3-[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R)-3,13,17-tris(2-carboxylatoethyl)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,21-hexahydrocorrin-22,23,24-triium-8-yl]propanoate

• SMILES

  C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=[NH+]3)/C(=C\4/[C@H](C(C(=[NH+]4)/C=C\5/[C@H]([C@](C1=[NH+]5)(C)CC(=O)[O-])CCC(=O)[O-])(C)C)CCC(=O)[O-])/C)(C)CCC(=O)[O-])CC(=O)[O-])C)(C)CC(=O)[O-])CCC(=O)[O-]

• Std. InChi

  InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-4/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1

• Std. InChIKey

  MYMATQFDUQLSCD-IPUCCYEASA-J

• Cite this record

  CSID:31150416, http://www.chemspider.com/Chemical-Structure.31150416.html (accessed 02:21, Apr 26, 2024)