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Substance Name: Rubradirin
RN: 11031-38-2
UNII: 764K7B32NB
InChIKey: GBZJIWQNTNUYGZ-AWTICQJKSA-N

Note

  • Selective inhibitor of enzymatic peptide initiation.

Molecular Formula

  • C48-H46-N4-O20

Molecular Weight

  • 998.8936
 
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Names and Synonyms

Name of Substance

  • Rubradirin

Synonym

  • UNII-764K7B32NB

Systematic Name

  • Rubradirin B, 4''-((2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-D-xylo-hexopyranosyl)oxy)-, (7Z)-

Registry Numbers

CAS Registry Number

  • 11031-38-2

FDA UNII

  • 764K7B32NB

System Generated Number

  • 0011031382

Structure Descriptors

InChI

1S/C48H46N4O20/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)72-48)71-46(63)32-37(57)26(69-27-15-47(5,52(64)65)43(67-8)20(4)68-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(66-7)13-25(22)70-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11-/t19-,20+,27+,39-,40+,43-,47-,48-/m0/s1

InChIKey

GBZJIWQNTNUYGZ-AWTICQJKSA-N

Smiles

CO[C@H]1[C@@H](C)O[C@@H](C[C@]1(C)[N+](=O)[O-])Oc2cc(nc(C(=O)O[C@@H]3[C@@H](C)\C=C(\C)/C(=O)c4c(O)c(C)cc5C(=O)C6=C(O[C@@](C)(CN6)C(=O)[C@H]3O)C(=O)c45)c2O)C(=O)NC7=C(O)c8ccc(OC)cc8OC7=O