Account S-((S)-3-Acetamido-2-methyl-4-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)amino)butan-2-yl) nitrothioite
- Catalog No. :
- ACMEJB836
- CAS No. :
- 188849-81-2
- Molecular Formula :
- C13H23N3O8S
- Molecular Weight :
- 381.41
IUPAC Name:S-((S)-3-acetamido-2-methyl-4-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)amino)butan-2-yl) nitrothioite
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Product Information
| Product Name | S-((S)-3-Acetamido-2-methyl-4-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)amino)butan-2-yl) nitrothioite |
|---|---|
| IUPAC Name | S-((S)-3-acetamido-2-methyl-4-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)amino)butan-2-yl) nitrothioite |
| MDL No. | MFCD01074980 |
| Molecular Formula | C13H23N3O8S |
| Molecular Weight | 381.41 |
| SMILES | CC(=O)N[C@@H](C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)SN=O |
| InChI Key | QNMMQEFPNFRVFP-BNVVCWPGSA-N |
| Synonym | GLYCO-SNAP-1;N-(BETA-D-GLUCOPYRANOSYL)-N2-ACETYL-S-NITROSO-D,L-PENICILLAMINAMIDE;N-(BETA-D-GLUCOPYRANOSYL)-S-NITROSO-N-ACETYL-D,L-PENICILLAMINE;N-(-D-Glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine;Butanamide, 2-(acetylamino)-N-β-D-glucopyranosyl-3-methyl-3-(nitrosothio)-, (2S)- (9CI) |
| CAS No. | 188849-81-2 |
Synthetic Route by SureRoute
2. ACMEJB836 Molecular Building Block Synthetic Route
N2-L-lysyl-L-valyl-L-alanyl-N4-((2R,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3S,4S,5R,6R)-4-(((2R,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-L-asparaginyl-L-lysyl-L-threonine
BAY-R 1005