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Substance Name: 3'-Hydroxy-5'-piperidinbenzoxazinorifamycin
RN: 105396-58-5
InChIKey: KBWVLFWCVOJGQD-GZGNQKASSA-N

Molecular Formula

  • C48-H57-N3-O13

Molecular Weight

  • 883.9863
 
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Names and Synonyms

  • 3'-Hydroxy-5'-piperidinbenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-58-5

System Generated Number

  • 0105396585

Structure Descriptors

InChI

1S/C48H57N3O13/c1-22-14-13-15-23(2)47(59)50-38-42(57)34-33(37-45(38)63-32-21-29(20-30(53)36(32)49-37)51-17-11-10-12-18-51)35-44(27(6)41(34)56)64-48(8,46(35)58)61-19-16-31(60-9)24(3)43(62-28(7)52)26(5)40(55)25(4)39(22)54/h13-16,19-22,24-26,31,39-40,43,53-56H,10-12,17-18H2,1-9H3,(H,50,59)/b14-13+,19-16+,23-15-/t22-,24+,25+,26+,31-,39-,40+,43+,48-/m0/s1

InChIKey

KBWVLFWCVOJGQD-GZGNQKASSA-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)N7CCCCC7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O