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Substance Name: Quinonyl-mdp-66
RN: 72921-52-9
InChIKey: CWERSTOLSLTDNS-NICFXMIKSA-N

Molecular Formula

  • C41-H64-N4-O16

Molecular Weight

  • 868.969
 
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Names and Synonyms

Name of Substance

  • Quinonyl-mdp-66

Synonyms

  • Qmdp 66
  • Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester
  • Quinonyl-N-acetylmuramyldipeptide
  • Quinonyl-N-acmu-val-iso-gln-methyl ester

Systematic Name

  • D-alpha-Glutamine, N2-(N-(N-acetyl-6-O-(10-(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-1-oxodecyl)muramoyl)-L-valyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 72921-52-9

System Generated Number

  • 0072921529

Structure Descriptors

InChI

1S/C41H64N4O16/c1-21(2)30(39(53)44-26(40(54)58-8)18-19-28(42)47)45-38(52)23(4)60-35-31(43-24(5)46)41(55)61-27(34(35)51)20-59-29(48)17-15-13-11-9-10-12-14-16-25-22(3)32(49)36(56-6)37(57-7)33(25)50/h21,23,26-27,30-31,34-35,41,51,55H,9-20H2,1-8H3,(H2,42,47)(H,43,46)(H,44,53)(H,45,52)/t23?,26-,27-,30+,31-,34-,35-,41+/m1/s1

InChIKey

CWERSTOLSLTDNS-NICFXMIKSA-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(CCCCCCCCCC2=C(C(C(=C(C2=O)OC)OC)=O)C)=O)O[C@@H](O)[C@@H]1NC(=O)C)=O)C(C)C)=O)(=O)OC