N-acetylmuramyl-serylisoglutamine
(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid
Also Known As: N-Acmu-ser-iso-gln|N-Acetylmuramyl-serylisoglutamine|N-Acetylmuramyl-L-seryl-D-isoglutamine|D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-seryl)-|(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid
| Molecular Formula | C19H32N4O12 |
|---|---|
| Molecular Weight | 508.20166 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 508.20166 |
| Monoisotopic Mass | 508.20166 |
| Heavy Atoms | 35 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 60355-76-2 |
|---|---|
| SMILES | CC(C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| InChIKey | FPMUTWVIEPJDOG-PPMFNHPZSA-N |
Product Overview
N-acetylmuramyl-serylisoglutamine (CAS 60355-76-2), with molecular formula C19H32N4O12 and molecular weight 508.20166 g/mol. IUPAC: (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid.