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Substance Name: 3'-Hydroxy-5'-(isobutylmethylamino)benzoxazinorifamycin
RN: 148235-91-0
InChIKey: XZIPGCZQKDQBQN-MBEPQWMASA-N

Molecular Formula

  • C48-H59-N3-O13

Molecular Weight

  • 886.0021
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(isobutylmethylamino)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-91-0

System Generated Number

  • 0148235910

Structure Descriptors

InChI

1S/C48H59N3O13/c1-21(2)20-51(11)29-18-30(53)36-32(19-29)63-45-37(49-36)33-34-41(56)27(8)44-35(33)46(58)48(10,64-44)61-17-16-31(60-12)24(5)43(62-28(9)52)26(7)40(55)25(6)39(54)22(3)14-13-15-23(4)47(59)50-38(45)42(34)57/h13-19,21-22,24-26,31,39-40,43,53-56H,20H2,1-12H3,(H,50,59)/b14-13+,17-16+,23-15-/t22-,24+,25+,26+,31-,39-,40+,43+,48-/m0/s1

InChIKey

XZIPGCZQKDQBQN-MBEPQWMASA-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)N(C)CC(C)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O