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Substance Name: 3'-Hydroxy-5'-(methyl-(2-pyridin-2-yl-ethyl)-amino)benzoxazinorifamycin
RN: 148235-94-3
InChIKey: XQJFENCPXKEKOE-DJNGNYOPSA-N

Molecular Formula

  • C51-H58-N4-O13

Molecular Weight

  • 935.0342
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(methyl-(2-pyridin-2-yl-ethyl)-amino)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-94-3

System Generated Number

  • 0148235943

Structure Descriptors

InChI

1S/C51H58N4O13/c1-24-14-13-15-25(2)50(63)54-41-45(61)37-36(40-48(41)67-35-23-32(22-33(57)39(35)53-40)55(9)20-17-31-16-11-12-19-52-31)38-47(29(6)44(37)60)68-51(8,49(38)62)65-21-18-34(64-10)26(3)46(66-30(7)56)28(5)43(59)27(4)42(24)58/h11-16,18-19,21-24,26-28,34,42-43,46,57-60H,17,20H2,1-10H3,(H,54,63)/b14-13+,21-18+,25-15-/t24-,26+,27+,28+,34-,42-,43+,46+,51-/m0/s1

InChIKey

XQJFENCPXKEKOE-DJNGNYOPSA-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(c2=O)c-5oc6cc(cc(c6nc35)O)N(C)CCc7ccccn7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O