L-alpha-Glutamine, N-(N-acetylmuramoyl)-L-alanyl-
(2S)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Also Known As: Ac-muramyl-Ala-Glu-NH2|KST-1A7210|L-alpha-Glutamine, N-(N-acetylmuramoyl)-L-alanyl-|(2s)-2-({(2s)-2-[(2-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoic acid(non-preferred name)|(2S)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid
| Molecular Formula | C19H32N4O11 |
|---|---|
| Molecular Weight | 492.20676 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 492.20676 |
| Monoisotopic Mass | 492.20676 |
| Heavy Atoms | 34 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 59331-38-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| InChIKey | SNTUQIQTAZQYIG-AIIXDPADSA-N |
Product Overview
L-alpha-Glutamine, N-(N-acetylmuramoyl)-L-alanyl- (CAS 59331-38-3), with molecular formula C19H32N4O11 and molecular weight 492.20676 g/mol. IUPAC: (2S)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid.