N-acetyl-thiomuramyl-alanyl-isoglutamine
(E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid
Also Known As: Thiomuramyl dipeptide|N-Acetyl-thiomuramyl-alanyl-isoglutamine|(E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid|D-alpha-Glutamine, N2-(N-(N-acetyl-1-thio-beta-muramoyl)-L-alanyl)-
| Molecular Formula | C19H32N4O10S |
|---|---|
| Molecular Weight | 508.18393 g/mol |
| LogP | -3.4527 |
| Topological Polar Surface Area | 238.13 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 508.18393 |
| Monoisotopic Mass | 508.18393 |
| Heavy Atoms | 34 |
| Complexity | 788.1811 |
Chemical Identifiers
| CAS Number | 83375-11-5 |
|---|---|
| SMILES | CC(CC[C@H]1C(SN1C(=O)C)(N[C@H](/C=C/C(=O)N)C(=O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)O)N |
Product Overview
N-acetyl-thiomuramyl-alanyl-isoglutamine (CAS 83375-11-5), with molecular formula C19H32N4O10S and molecular weight 508.18393 g/mol. IUPAC: (E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid.
N-acetyl-thiomuramyl-alanyl-isoglutamine is a custom synthesis product. We offer services from milligram to kilogram scale.
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