Products 539823-82-0
CAS 539823-82-0 appears in our catalog under these names: Micafungin Impurity 10, Micafungin open ring Impurity. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 0,5mg.
Sodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate (CAS 539823-82-0) is a chemical compound with the molecular formula C56H70N9NaO23S and a molecular weight of 1292.3 g/mol. IUPAC name: sodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate. InChIKey: DBNWVUGZEUASHB-ZLNXTIBKSA-M.
| Molecular formula | C56H70N9NaO23S |
|---|---|
| Molecular weight | 1292.3 g/mol |
| IUPAC name | sodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate |
| InChIKey | DBNWVUGZEUASHB-ZLNXTIBKSA-M |
| SMILES | CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N4[C@@H](C[C@H](C4O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@H]([C@@H]([C@H](C6=CC(=C(C=C6)O)OS(=O)(=O)[O-])O)O)C(=O)N[C@@H]([C@@H](CC(=O)N)O)C(=O)N7C[C@@H]([C@@H]([C@H]7C(=O)N)O)C)O.[Na+] |
Computed by PubChem (NCBI)