Threonyl muramyl dipeptide
(4R)-4-[[(2S,3R)-2-[[(2R)-2-[(2R,3R,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoic acid
Molecular Identity
Threonyl muramyl dipeptide
(4R)-4-[[(2S,3R)-2-[[(2R)-2-[(2R,3R,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoic acid
PubChem CID: 121596037
2D Structure
Properties
C20H34N4O12
Molecular Formula
522.50
Molecular Weight
g/mol
522.2173
Exact Mass
Da
-4.3
XLogP
Drug-like (Lipinski: < 5)
267
TPSA
May have limited oral absorption
9
H-Bond Donors
12
H-Bond Acceptors
812
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@H]([C@H]1O)CO)O)NC(=O)C)OSynonyms(4)
Threonyl muramyl dipeptideThreonyl-muramyl dipeptide105579-86-0SCHEMBL29369210
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Threonyl muramyl dipeptide
Loading drug network...