Analyte Name

(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl N3-(N-((3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)glycinyl)penicilloic Acid

CAS Number

934986-85-3

Molecular Formula

C32 H27 Cl4 N5 O9 S

Molecular Weight

799.462

Accurate Mass

797.028

SMILES

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

InChI

InChI=1S/C32H27Cl4N5O9S/c1-12-19(23(39-49-12)21-14(33)7-5-8-15(21)34)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)22-16(35)9-6-10-17(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,4S)-2-[(R)-carboxy-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-3-[2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat