D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester
1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate
Also Known As: D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester|1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate|decan-5-yl methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate
| Molecular Formula | C30H53N3O12 |
|---|---|
| Molecular Weight | 647.3629 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 647.3629 |
| Monoisotopic Mass | 647.3629 |
| Heavy Atoms | 45 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 73072-90-9 |
|---|---|
| SMILES | CCCCCC(CCCC)OC(=O)[C@@H](CCC(=O)OC)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| InChIKey | GKSPNXPORMASHL-HWBDPLGESA-N |
Product Overview
D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester (CAS 73072-90-9), with molecular formula C30H53N3O12 and molecular weight 647.3629 g/mol. IUPAC: 1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate.