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Substance Name: 3'-Hydroxy-5'-((4-(3-methyl-butyl))-1-piperazinyl)benzoxazinorifamycin
RN: 129791-95-3
InChIKey: YHQSZVOUTJXWPG-PMMTUQPOSA-N

Molecular Formula

  • C52-H66-N4-O13

Molecular Weight

  • 955.1084
 
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Names and Synonyms

  • 3'-Hydroxy-5'-((4-(3-methyl-butyl))-1-piperazinyl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 129791-95-3

System Generated Number

  • 0129791953

Structure Descriptors

InChI

1S/C52H66N4O13/c1-25(2)15-17-55-18-20-56(21-19-55)33-23-34(58)40-36(24-33)68-49-41(53-40)37-38-45(61)31(8)48-39(37)50(63)52(10,69-48)66-22-16-35(65-11)28(5)47(67-32(9)57)30(7)44(60)29(6)43(59)26(3)13-12-14-27(4)51(64)54-42(49)46(38)62/h12-14,16,22-26,28-30,35,43-44,47,58-61H,15,17-21H2,1-11H3,(H,54,64)/b13-12+,22-16+,27-14-/t26-,28+,29+,30+,35-,43-,44+,47+,52-/m0/s1

InChIKey

YHQSZVOUTJXWPG-PMMTUQPOSA-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)C)O)C)O)C)OC(=O)C)C)OC)C)O