Ansamycin: Rifamycin derivative R-198

Molecular Formula: C41H53N3O11S


InChI: InChI=1/C41H53N3O11S/c1-11-16-42-40-44-29-26-27-33(48)23(7)36-28(26)38(50)41(9,55-36)53-17-15-25(52-10)20(4)35(54-24(8)45)22(6)32(47)21(5)31(46)18(2)13-12-14-19(3)39(51)43-30(34(27)49)37(29)56-40/h12-15,17-18,20-22,25,31-32,35,46-49H,11,16H2,1-10H3,(H,42,44)(H,43,51)/b13-12+,17-15+,19-14+/f/h42-43H

InChIKey: InChIKey=BIVHDXHZFSGRDJ-KTKWZUJDDN
SMILES: CCCNC1=NC2=C(S1)C3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N3)C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Names:
    Ansamycin: Rifamycin derivative R-198
    NSC295123
    66892-06-6

Registries:
    PubChem CID 6440907
    PubChem ID 8140970