chempirical

Muramyl dipeptide

C19H32N4O11CAS 53678-77-6492.48 g/mol

Open in Covalent MOL file
OHNOOONHONHOOHH2NOOHOHHO
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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

PubChem CAS Common Chemistry NIST WebBook Wikipedia