hydrogenobyrinate a,c-diamide

Properties Image Occurences in reactions MNX_ID MNXM726058 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2 formula C45H58N6O12 charge -4 mass 874.41347 reference metacycM:CPD-688 InChIKey BYLRAQWTUVCQLV-BRPYDKQXSA-J InChI InChI=1S/C45H62N6O12/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/h18,23-26,40,50H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-4/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1 SMILES C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[NH2+][C@H]([C@H](CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])[C@]4(C)N=C1[C@@H](CCC(=O)[O-])[C@]4(C)CC(N)=O)[C@@H](CCC(=O)[O-])C3(C)C)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O

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