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Substance Name: 3'-Hydroxy-5'-(4-but-3-enyl-1-piperazinyl)benzoxazinorifamycin
RN: 129791-98-6
InChIKey: LYDJWSLVNRQHQR-ZPMVDLLNSA-N

Molecular Formula

  • C51-H62-N4-O13

Molecular Weight

  • 939.0658
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(4-but-3-enyl-1-piperazinyl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 129791-98-6

System Generated Number

  • 0129791986

Structure Descriptors

InChI

1S/C51H62N4O13/c1-11-12-17-54-18-20-55(21-19-54)32-23-33(57)39-35(24-32)67-48-40(52-39)36-37-44(60)30(7)47-38(36)49(62)51(9,68-47)65-22-16-34(64-10)27(4)46(66-31(8)56)29(6)43(59)28(5)42(58)25(2)14-13-15-26(3)50(63)53-41(48)45(37)61/h11,13-16,22-25,27-29,34,42-43,46,57-60H,1,12,17-21H2,2-10H3,(H,53,63)/b14-13+,22-16+,26-15-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1

InChIKey

LYDJWSLVNRQHQR-ZPMVDLLNSA-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)N7CCN(CC7)CCC=C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O