Small Molecule muramyl dipeptide

URN urn:agi-cas:53678-77-6
Total Entities 0
Connectivity 711
Name muramyl dipeptide
Molecular Weight 492.477580
XLogP -3.700000

Pathway NOD-like Receptors
Toll-like Receptor Independent Sterile Inflammation
Macrophage Function in Diabetes Mellitus Type 1
Crohn's Disease
Paneth-Cell Function in Crohn's Disease
Macrophage Dysfunction
Dendritic Cell Dysfunction in Crohn's disease
Dendritic Cell Function in Ulcerative Colitis
Blau Syndrome
Model of PPARG signaling in psoriasis
Model of PPARG related pathways in psoriasis (short version)
1_Insufficient activation of immune response in the middle ear epithelium cells in otitis media
2_Paneth cell dysfunction in Crohn's disease
1_Defects in response to pathogens in the gut promotes inflammation in Crohn's disease
3_Autophagy dysfunction in Crohn's disease
2_Intestine epithelial cells drive immunological responses in ulcerative colitis

MedScan ID 1203017

Alias N(sup 2)-(N-(N-acetylmuramyl)-L-alanyl)-D-alpha-glutamine
EINECS 258-696-9
N-acetylmuramyl-levo-alanyl-dextro-isoglutamine
BRN 4220745
N-acetylmuramylalanyl-dextro-isoglutamine
N-acetylmuramyl-L-alanyl-D isoglutamine
N-Acetylmuramyl-L-alanyl-D-isoglutamine hydrate
4-[2-[2-[3-acetylamino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxo-pentanoic acid
53678-77-6
N-acetylmuramylalanyl-D-isoglutamine
N2-(N-(N-acetylmuramyl)-L-alanyl)-D-alpha-glutamine
Muramyl Dipeptide
N-acetyl muramyl-L-alanyl-D-isoglutamine
(+)-N2-(N-(N-acetylmuramyl)-L-alanyl)-D-alpha-Glutamine
4-[2-[2-[3-acetylamino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate
ac-muramyl-ala-d-glu-nh2
N-(N-acetylmuramyl)-L-alanyl-D-alpha-Glutamine
Acetylmuramyl-alanyl-isoglutamine
N2-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine
(+)-N2-(N-(N-acetylmuramoyl)-L-alanyl)-D-alpha-Glutamine
N-(N-acetylmuramoyl)-L-alanyl-D-alpha-Glutamine
N(sup 2)-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine
D-alpha-Glutamine, N-(N-acetylmuramoyl)-L-alanyl-
Adjuvant Peptide
D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-
D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-, (+)-
D-alpha-Glutamine, N(sup 2)-(N-(N-acetylmuramoyl)-L-alanyl)-

CAS ID 53678-77-6

Reaxys ID 4220745

InChIKey MEJOVVKHFORGKW-HOMBLFBHSA-N
BSOQXXWZTUDTEL-IXJLSLDXSA-N

Molecular Formula C19H32N4O11

PubChem SID 135004313
181651

PubChem CID 91667728
40846

XLogP-AA -4.6

IUPAC Name (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-1-[(1R)-1-acetamido-2-keto-ethyl]-2,3,4-trihydroxy-butoxy]propanoyl]amino]propanoyl]amino]-5-amino-5-keto-valeric acid
(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,5S)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-keto-valeric acid

Rotatable Bond Count 16
12