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Substance Name: 3'-Hydroxy-5'-pyrrolidinbenzoxazinorifamycin
RN: 105396-57-4
InChIKey: FSLIPTJFPLJWSB-DZBBFPJVSA-N

Molecular Formula

  • C47-H55-N3-O13

Molecular Weight

  • 869.9595
 
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Names and Synonyms

  • 3'-Hydroxy-5'-pyrrolidinbenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-57-4

System Generated Number

  • 0105396574

Structure Descriptors

InChI

1S/C47H55N3O13/c1-21-13-12-14-22(2)46(58)49-37-41(56)33-32(36-44(37)62-31-20-28(50-16-10-11-17-50)19-29(52)35(31)48-36)34-43(26(6)40(33)55)63-47(8,45(34)57)60-18-15-30(59-9)23(3)42(61-27(7)51)25(5)39(54)24(4)38(21)53/h12-15,18-21,23-25,30,38-39,42,52-55H,10-11,16-17H2,1-9H3,(H,49,58)/b13-12+,18-15+,22-14-/t21-,23+,24+,25+,30-,38-,39+,42+,47-/m0/s1

InChIKey

FSLIPTJFPLJWSB-DZBBFPJVSA-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)N7CCCC7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O