Analyte Name

3-(2-Methyl-1-oxopropoxy)methyl Ertapenem Sodium

CAS Number

1632984-90-7

Molecular Formula

C27H32N3O9S.Na

Molecular Weight

597.61

Accurate Mass

597.18

SMILES

O=C(C1=C(S[C@H]2C[C@H](NC2)C(NC3=CC(C(OCOC(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/C27H33N3O9S.Na/c1-12(2)26(36)38-11-39-27(37)15-6-5-7-16(8-15)29-23(32)18-9-17(10-28-18)40-22-13(3)20-19(14(4)31)24(33)30(20)21(22)25(34)35;/h5-8,12-14,17-20,28,31H,9-11H2,1-4H3,(H,29,32)(H,34,35);/q;+1/p-1/t13-,14-,17+,18+,19-,20-;/m1./s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat