Analyte Name

Ozolamide of 6-APA dimer Sodium Salt

Molecular Formula

C27H29N5Na2O8S2

Molecular Weight

661.66

Accurate Mass

661.13

SMILES

O=C(N1[C@]2([H])SC(C)(C)[C@@H]1C(O[Na])=O)[C@H]2NC([C@H]([C@H]3SC(C)(C)[C@H](C(O[Na])=O)N3)NC(C4=C(C)ON=C4C5=CC=CC=C5)=O)=O

InChI

InChI=1S/C27H31N5O8S2.2Na/c1-11-13(14(31-40-11)12-9-7-6-8-10-12)19(33)28-15(21-30-17(24(36)37)26(2,3)41-21)20(34)29-16-22(35)32-18(25(38)39)27(4,5)42-23(16)32;;/h6-10,15-18,21,23,30H,1-5H3,(H,28,33)(H,29,34)(H,36,37)(H,38,39);;/q;2*+1/p-2/t15-,16-,17+,18+,21-,23-;;/m1../s1

IUPAC

Sodium (2S,5R,6R)-6-((R)-2-((2R,4S)-4-carboxylato-5,5-dimethylthiazolidin-2-yl)-2-(5-methyl-3-phenylisoxazole-4-carboxamido)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Country of Origin

CANADA

Product Format

Neat