Muramyl dipeptide

C19H32N4O11CAS 53678-77-6492.48 g/mol

Open in Covalent MOL file
OHNOOONHONHOOHNH2OOHOHHO
AlcoholAldehydeCarboxylic acidEther

Properties

Molecular formula
C19H32N4O11
Molar mass
492.48 g/mol
Exact mass
492.2068 Da
logP
-0.91Crippen estimate
Polar surface area
266.1 Ų
H-bond donors / acceptors
9 / 10
Rotatable bonds
16
Stereocentres
R, R, R, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
53678-77-6
SMILES
CC(O)=N[C@@H](C=O)[C@@H](O[C@H](C)C(O)=N[C@@H](C)C(O)=N[C@H](CCC(=O)O)C(=N)O)[C@H](O)[C@H](O)CO
InChIKey
MEJOVVKHFORGKW-HOMBLFBHSA-N
InChI
InChI=1S/C19H32N4O11/c1-8(18(32)23-11(17(20)31)4-5-14(28)29)21-19(33)9(2)34-16(15(30)13(27)7-25)12(6-24)22-10(3)26/h6,8-9,11-13,15-16,25,27,30H,4-5,7H2,1-3H3,(H2,20,31)(H,21,33)(H,22,26)(H,23,32)(H,28,29)/t8-,9+,11+,12-,13+,15+,16+/m0/s1

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Names and synonyms

13 names · show all
  • D-α-Glutamine, N-(N-acetylmuramoyl)-L-alanyl-
  • D-α-Glutamine, N2-[N-(N-acetylmuramoyl)-L-alanyl]-
  • N-(N-Acetylmuramoyl)-L-alanyl-D-α-glutamine
  • N-(Acetylmuramoyl)-L-alanyl-D-isoglutamine
  • N-Acetylmuramoylalanyl-D-isoglutamine
  • Muramoyl dipeptide
  • Acetylmuramoyl-L-alanyl-D-isoglutamine
  • MDP
  • N-(Acetylmuramoyl)alanyl-D-isoglutamine
  • N-Acetylmuramoyl dipeptide
  • N-Acetylmuramoyl-L-alanine-D-isoGln
  • 2: PN: WO2009039971 PAGE: 99 claimed protein
  • MDP-D

Work with Muramyl dipeptide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetylmuramic acid10597-89-460 % similar N-Acetylgalactosamine1811-31-044 % similar N-Acetylglucosamine7512-17-644 % similar Acetylglucosamine98632-70-344 % similar N,N′-Diacetylchitobiose35061-50-840 % similar Muramic acid1114-41-639 % similar N-Acetylchitohexaose38854-46-538 % similar N,N′,N′′-Triacetylchitotriose38864-21-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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