dihydrosirohydrochlorin
Molecular Formula:
C42H50N4O16
InChI: InChI=1/C42H50N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14,16,23-24,31,43-45H,3-13,15,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/f/h47,49,51,53,55,57,59,61H
InChIKey: InChIKey=OZRBELAXOMTWMP-XWARBXFZCK
SMILES: CC1(C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)C=C5C(C(C(=CC(=N2)C1CCC(=O)O)N5)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O
Names:
dihydrosirohydrochlorin
precorrin-2
Registries:
PubChem CID 667
PubChem ID 2652
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