CAS 82198-76-3 appears in our catalog under these names: Vancomycin Impurity 3(Vancomycin EP Impurity C), Vancomycin EP Impurity C (Agluco Vancomycin B , Vancomycin B Aglycone), Vancomycin EP Impurity C, Vancomycin Aglycon, Vancomycin aglycon. Offered by: Hubei YoungXin, Chemat Brand, GLPBio, Biosynth, Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, on request, 1mg, 2mg.
Vancomycin aglycone is a peptide antibiotic that is vancomycin lacking the disaccharide moiety. It has a role as a metabolite. It is a heterodetic cyclic peptide, a peptide antibiotic, a polyphenol and a cyclic ether. It is a conjugate acid of a vancomycin aglycone(1-). It is a tautomer of a vancomycin aglycone zwitterion.
Source: ChEBI
| Molecular formula | C53H52Cl2N8O17 |
|---|---|
| Molecular weight | 1143.9 g/mol |
| IUPAC name | (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid |
| InChIKey | JHIKFOISFAQTJQ-YZANBJIASA-N |
| SMILES | CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC |
Computed by PubChem (NCBI)