Products 101485-50-1

CAS 101485-50-1 appears in our catalog under these names: Vancomycin EP Impurity D (Desvancosaminylvancomycin B), Vancomycin EP Impurity D, Vancomycin Impurity 4(Vancomycin EP Impurity D), Vancomycin EP Impurity D, ≥95%, ≥95%. Offered by: Chemat Brand, Hubei YoungXin, Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 5mg.

Structural formula: {0} (CAS {1})

Devancoaminyl vancomycin is a glycopeptide that is vancomycin lacking the vancoaminyl residue. It has a role as an antimicrobial agent and a bacterial metabolite. It is a glycopeptide, a heterodetic cyclic peptide, a polyphenol, an organochlorine compound, a cyclic ether and a monosaccharide derivative. It is functionally related to a vancomycin aglycone. It is a tautomer of a devancoaminyl vancomycin zwitterion.

Source: ChEBI

Identity
Molecular formulaC59H62Cl2N8O22
Molecular weight1306.1 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-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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
InChIKeyQCHYVJAUGVHJHX-PZIRYZLHSA-N
SMILESCC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)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)