precorrin-5
Molecular Formula:
C45H54N4O17
InChI: InChI=1/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/f/h51,53,55,57,59,61,63,65H
InChIKey: InChIKey=OUPXZNRNMLYOGK-PNRXHBQFCV
SMILES: CC(=O)C12C3=C(C(C(=N3)CC4=NC(CC5=C(C(C(=N5)C=C(N1)C(C2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)CCC(=O)O)CC(=O)O
Names:
CPD-662
precorrin-5
Registries:
PubChem CID 526
PubChem ID 2478
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