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Substance Name: WS 1279
RN: 129712-27-2
InChIKey: MKKXXGNBLGERJB-JBZFGHNVSA-N

Note

  • Immunoactive lipopeptide from a Streptomyces.

Molecular Formula

  • C68-H125-N7-O15-S

Molecular Weight

  • 1312.84
 
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Names and Synonyms

Name of Substance

  • WS 1279

Synonym

  • WS-1279

Systematic Name

  • L-Serine, N-(N-(N-(N-(N2-(S-(2,3-bis((1-oxohexadecyl)oxy)propyl)-N-(1-oxohexadecyl)-L-cysteinyl)-L-asparaginyl)-L-seryl)glycyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 129712-27-2

System Generated Number

  • 0129712272

Structure Descriptors

InChI

1S/C68H125N7O15S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-60(79)73-58(67(86)74-55(46-59(69)78)66(85)75-56(49-76)65(84)71-47-61(80)70-48-62(81)72-57(50-77)68(87)88)53-91-52-54(90-64(83)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)51-89-63(82)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-58,76-77H,4-53H2,1-3H3,(H2,69,78)(H,70,80)(H,71,84)(H,72,81)(H,73,79)(H,74,86)(H,75,85)(H,87,88)/t54?,55-,56-,57-,58-/m0/s1

InChIKey

MKKXXGNBLGERJB-JBZFGHNVSA-N

Smiles

OC[C@@H](C(=O)O)NC(CNC(=O)CNC([C@H](CO)NC([C@@H](NC(=O)[C@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCC)CC(N)=O)=O)=O)=O