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Substance Name: MDP-B 30
RN: 112008-40-9
InChIKey: MBNOEFUCTHNMGL-NZMICGEJSA-N

Molecular Formula

  • C47-H88-N4-O11

Molecular Weight

  • 885.229
 
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Names and Synonyms

Results Name

  • MDP-B 30

Synonyms

  • 6-O-(2-Tetradecyl-hexadecanoyl)-MDP
  • MDP-B 30

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112008-40-9

System Generated Number

  • 0112008409

Structure Descriptors

InChI

1S/C47H88N4O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-36(30-28-26-24-22-20-18-16-14-12-10-8-6-2)46(58)60-33-38-41(53)42(40(49)47(59)62-38)61-35(4)44(55)50-34(3)43(54)51-37(45(56)57)31-32-39(48)52/h34-38,40-42,47,53,59H,5-33,49H2,1-4H3,(H2,48,52)(H,50,55)(H,51,54)(H,56,57)/t34-,35?,37+,38+,40+,41+,42+,47-/m0/s1

InChIKey

MBNOEFUCTHNMGL-NZMICGEJSA-N

Smiles

C([C@@H](CCC(=O)N)NC([C@@H](NC([C@@H](C)O[C@H]1[C@H](O)[C@@H](COC(C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O)O[C@@H](O)[C@@H]1N)=O)C)=O)(=O)O