3-[3,12,17-tris(2-carboxyethyl)-2,13,18-tris(carboxymethyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanoic acid

More details:

• Systematic name

  3-[3,12,17-tris(2-carboxyethyl)-2,13,18-tris(carboxymethyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanoic acid

• SMILES

  CC1C2C(C(C(=N2)CC3=NC(=C(C4=NC(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)(C(C4CCC(=O)O)(C)CC(=O)O)C)C)C(C3CCC(=O)O)(C)CC(=O)O)(C)C)CCC(=O)O

• Std. InChi

  InChI=1S/C45H62N4O14/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/h21,23-26,36,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)

• Std. InChIKey

  OJPCPVMJYANPLQ-UHFFFAOYSA-N

• Cite this record

  CSID:522, http://www.chemspider.com/Chemical-Structure.522.html (accessed 21:12, Apr 29, 2024)