Analyte Name

2-[(Cyclohexyloxy)carbonyl]oxy]methyl Ertapenem Sodium

CAS Number

1632985-89-7

Molecular Formula

C30H36N3O10S.Na

Molecular Weight

653.68

Accurate Mass

653.2

SMILES

O=C(C1=C(S[C@H]2C[C@H](NC2)C(NC3=CC(C(O[Na])=O)=CC=C3)=O)[C@H](C)[C@@]([C@@]4([H])[C@H](O)C)([H])N1C4=O)OCOC(OC5CCCCC5)=O

InChI

InChI=1S/C30H37N3O10S.Na/c1-15-23-22(16(2)34)27(36)33(23)24(29(39)41-14-42-30(40)43-19-9-4-3-5-10-19)25(15)44-20-12-21(31-13-20)26(35)32-18-8-6-7-17(11-18)28(37)38;/h6-8,11,15-16,19-23,31,34H,3-5,9-10,12-14H2,1-2H3,(H,32,35)(H,37,38);/q;+1/p-1/t15-,16-,20+,21+,22-,23-;/m1./s1

IUPAC

Sodium 3-((2S,4S)-4-(((4R,5S,6S)-2-(((((Cyclohexyloxy)carbonyl)oxy)methoxy)carbonyl)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio)pyrrolidine-2-carboxamido)benzoate

Country of Origin

CANADA

Product Format

Neat