Product Name
Vancomycin EP Impurity J
Product Number
C4X-177511
Certificate of Analysis (COA)
IUPAC Name
(1S,2R,18R,19R,22S,25R,28R,40R)-48-(2S,3R,4S,5S,6R)-3-(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yloxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-(2R)-4-methyl-2-(methylamino)pentanoylamino-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo26.14.2.23,6.214,17.18,12.129,33.010,25.034,39pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
InChI Key
MYPYJXKWCTUITO-JTFZNGFOSA-N
SMILES
CC@H1C@H(C@@(CC@@H(O1)OC@@H2C@H(C@@H(C@H(OC@H2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C@H(C@H(C(=O)NC@H(C(=O)NC@H5C(=O)NC@@H7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C@@H(NC(=O)C@H(C@@H(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C@@H(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
