(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamidehydratehydrochloride
(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride
| Molecular Formula | C18H37ClN2O7S |
|---|---|
| Molecular Weight | 461.0 g/mol |
| Topological Polar Surface Area | 149.0 A2 |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.201 |
| Heavy Atoms | 29 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 7179-49-9 |
|---|---|
| SMILES | CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.O.Cl |
| InChIKey | LFZGYTBWUHCAKF-DCNJEFSFSA-N |
📖 Product Overview
(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamidehydratehydrochloride (CAS: 7179-49-9) is a chemical compound with molecular formula C18H37ClN2O7S and molecular weight 461.0 g/mol. Its IUPAC systematic name is (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride.
LFZGYTBWUHCAKF-DCNJEFSFSA-N.
SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.O.Cl.
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