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Substance Name: Berninamycin
RN: 58798-97-3
UNII: M2B3X4HA2W
InChIKey: CAFFHXXVDGAVPH-DKFXDEMXSA-N

Molecular Weight

  • 1146.1199
 
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Names and Synonyms

Name of Substance

  • Berninamycin
  • Berninamycin A

Synonym

  • UNII-M2B3X4HA2W

Systematic Name

  • Berninamycin A

Registry Numbers

CAS Registry Number

  • 58798-97-3

FDA UNII

  • M2B3X4HA2W

System Generated Number

  • 0058798973

Structure Descriptors

InChI

1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-/t24-,32+,36-/m1/s1

InChIKey

CAFFHXXVDGAVPH-DKFXDEMXSA-N

Smiles

C\C=C\1/NC(=O)[C@@H](NC(=O)c2csc(n2)c3ccc(nc3c4coc(n4)C(=C)NC(=O)C(=C)NC(=O)c5nc(oc5C)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)c6nc1oc6C)C(C)(C)O)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)[C@@H](C)O