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Substance Name: Rifamycin, 3-((2-thiazolylimino)methyl)-
RN: 13292-30-3
InChIKey: WTDKJIJXCNCPJY-WPTHNMSJSA-N

Molecular Formula

  • C41-H49-N3-O12-S

Molecular Weight

  • 807.9131
 
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Names and Synonyms

  • Rifamycin, 3-((2-thiazolylimino)methyl)-

Registry Numbers

CAS Registry Number

  • 13292-30-3

System Generated Number

  • 0013292303

Structure Descriptors

InChI

1S/C41H49N3O12S/c1-18-11-10-12-19(2)39(52)44-30-25(17-43-40-42-14-16-57-40)34(49)27-28(35(30)50)33(48)23(6)37-29(27)38(51)41(8,56-37)54-15-13-26(53-9)20(3)36(55-24(7)45)22(5)32(47)21(4)31(18)46/h10-18,20-22,26,31-32,36,46-50H,1-9H3,(H,44,52)/b11-10+,15-13+,19-12-,43-17+/t18-,20+,21+,22+,26-,31-,32+,36+,41-/m0/s1

InChIKey

WTDKJIJXCNCPJY-WPTHNMSJSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/c5nccs5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O