Analyte Name

(5R)-Flucloxacillin N4-(N-((3-(2-Chloro-6-fluoro-phenyl)-5-methyl-4-isoxazolyl)carbonyl)-glycinyl) Penilloic Acid

Molecular Formula

C32 H27 Cl2 F2 N5 O9 S

Molecular Weight

766.553

Accurate Mass

765.087

SMILES

Cc1onc(c1C(=O)NCC(=O)N2[C@H](SC(C)(C)[C@H]2C(=O)O)[C@H](NC(=O)c3c(C)onc3c4c(F)cccc4Cl)C(=O)O)c5c(F)cccc5Cl

InChI

InChI=1S/C32H27Cl2F2N5O9S/c1-12-19(23(39-49-12)21-14(33)7-5-9-16(21)35)27(43)37-11-18(42)41-26(31(47)48)32(3,4)51-29(41)25(30(45)46)38-28(44)20-13(2)50-40-24(20)22-15(34)8-6-10-17(22)36/h5-10,25-26,29H,11H2,1-4H3,(H,37,43)(H,38,44)(H,45,46)(H,47,48)/t25-,26+,29+/m0/s1

IUPAC

(2R,4R)-2-[(R)-carboxy-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-3-[2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat