Analyte Name

3-(2,2-Dimethyl-1-oxopropoxy)methyl Ertapenem Sodium

CAS Number

1632984-85-0

Molecular Formula

C28H34N3NaO9S

Molecular Weight

611.64

Accurate Mass

611.19

SMILES

O=C(C1=C(S[C@H]2C[C@H](NC2)C(NC3=CC(C(OCOC(C(C)(C)C)=O)=O)=CC=C3)=O)[C@H](C)[C@@]([C@@]4([H])[C@H](O)C)([H])N1C4=O)O[Na]

InChI

InChI=1S/C28H35N3O9S.Na/c1-13-20-19(14(2)32)24(34)31(20)21(25(35)36)22(13)41-17-10-18(29-11-17)23(33)30-16-8-6-7-15(9-16)26(37)39-12-40-27(38)28(3,4)5;/h6-9,13-14,17-20,29,32H,10-12H2,1-5H3,(H,30,33)(H,35,36);/q;+1/p-1/t13-,14-,17+,18+,19-,20-;/m1./s1

IUPAC

Sodium (4R,5S,6S)-6-((R)-1-Hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((3-(((pivaloyloxy)methoxy)carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Country of Origin

CANADA

Product Format

Neat