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Substance Name: 6-O-(3-Hydroxy-2-docosylhexacosanoyl)muramyl dipeptide
RN: 81649-55-0
InChIKey: BGKQFDBPGUSNRD-IMFIRNKVSA-N

Molecular Formula

  • C65-H124-N4-O12

Molecular Weight

  • 1153.7106
 
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Names and Synonyms

Name of Substance

  • 6-O-(3-Hydroxy-2-docosylhexacosanoyl)muramyl dipeptide

Synonyms

  • 6-O-(3-Hydroxy-2-docosylhexacosanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine
  • BH48-Mdp

Systematic Name

  • D-alpha-Glutamine, N2-(N-(N-(2-docosyl-3-hydroxy-1-oxohexacosyl)muramyl)-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 81649-55-0

System Generated Number

  • 0081649550

Structure Descriptors

InChI

1S/C65H124N4O12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-55(71)53(46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)63(76)69-58-60(59(73)56(50-70)81-65(58)79)80-52(4)62(75)67-51(3)61(74)68-54(64(77)78)48-49-57(66)72/h51-56,58-60,65,70-71,73,79H,5-50H2,1-4H3,(H2,66,72)(H,67,75)(H,68,74)(H,69,76)(H,77,78)/t51-,52?,53?,54+,55?,56+,58+,59+,60+,65-/m0/s1

InChIKey

BGKQFDBPGUSNRD-IMFIRNKVSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O)O