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Substance Name: 5'-Piperidinylbenzoxazinorifamycin
RN: 105396-32-5
InChIKey: LALXWJRYRXNBOG-FFUPLEBKSA-N

Molecular Formula

  • C48-H57-N3-O12

Molecular Weight

  • 868.9754
 
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Names and Synonyms

  • 5'-Piperidinylbenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-32-5

System Generated Number

  • 0105396325

Structure Descriptors

InChI

1S/C47H56N4O12/c1-22-11-10-12-23(2)46(58)50-37-41(56)34-33(36-44(37)62-32-21-29(13-14-30(32)49-36)51-18-16-48-17-19-51)35-43(27(6)40(34)55)63-47(8,45(35)57)60-20-15-31(59-9)24(3)42(61-28(7)52)26(5)39(54)25(4)38(22)53/h10-15,20-22,24-26,31,38-39,42,48,53-55H,16-19H2,1-9H3,(H,50,58)/b11-10+,20-15+,23-12-/t22-,24+,25+,26+,31-,38-,39+,42+,47-/m0/s1

InChIKey

LALXWJRYRXNBOG-FFUPLEBKSA-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(ccc6nc35)N7CCNCC7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O