Analyte Name

(E)-(S,S)-Cilastatin Hydrochloride

Molecular Formula

C16H26N2O5S.HCl

Molecular Weight

394.91

Accurate Mass

394.13

SMILES

OC(/C(NC([C@H]1CC1(C)C)=O)=C\CCCCSC[C@@H](N)C(O)=O)=O.Cl

InChI

InChI=1S/C16H26N2O5S.ClH/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);1H/b12-6+;/t10-,11-;/m1./s1

IUPAC

(E)-7-(((S)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoic acid hydrochloride

Country of Origin

CANADA

Product Format

Neat