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Substance Name: B 30-Muramyl dipeptide
RN: 66880-80-6
InChIKey: GMDKAFQKGCXHQQ-UQIULFSHSA-N

Molecular Formula

  • C49-H90-N4-O12

Molecular Weight

  • 927.266
 
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Names and Synonyms

Name of Substance

  • B 30-Muramyl dipeptide

Synonyms

  • (B30)-Mdp
  • 6-O-(2-Tetradecyl-hexadecanoyl)-N-mdp
  • 6-O-(2-Tetradecylhexadecanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine

Systematic Name

  • D-alpha-Glutamine, N2-(N-(N-acetyl-6-O-(1-oxo-2-tetradecylhexadecyl)muramoyl)-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 66880-80-6

System Generated Number

  • 0066880806

Structure Descriptors

InChI

1S/C49H90N4O12/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-39(31-29-27-25-23-21-19-17-15-13-11-9-7-2)49(63)64-35-42(56)44(59)45(41(34-54)52-38(5)55)65-37(4)48(62)51-36(3)47(61)53-40(46(50)60)32-33-43(57)58/h34,36-37,39-42,44-45,56,59H,6-33,35H2,1-5H3,(H2,50,60)(H,51,62)(H,52,55)(H,53,61)(H,57,58)/t36-,37+,40+,41-,42+,44+,45+/m0/s1

InChIKey

GMDKAFQKGCXHQQ-UQIULFSHSA-N

Smiles

O([C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)C)C)[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@H](O)COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)O