[5R-​[5alpha,​6alpha(R*)​]​]​-6-​(1-​Hydroxyethyl)​-​3-​[[2-​[[1-​(methylamino)​ethylidene]​amino]​ethyl]​thio]​-​7-​oxo-1-​Azabicyclo[3.2.0]​hept-​2-​ene-​2-​carboxylic Acid

Analyte Name

(5R-(5alpha,6alpha(R*)))-6-(1-Hydroxyethyl)-3-((2-((1-(methylamino)ethylidene)amino)ethyl)thio)-7-oxo-1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid

CAS Number

64222-22-6

Molecular Formula

C14 H21 N3 O4 S

Molecular Weight

327.399

Accurate Mass

327.125

SMILES

C\N=C(/C)\NCCSC1=C(N2[C@H](C1)[C@@H](C(C)O)C2=O)C(=O)O

InChI

InChI=1S/C14H21N3O4S/c1-7(18)11-9-6-10(22-5-4-16-8(2)15-3)12(14(20)21)17(9)13(11)19/h7,9,11,18H,4-6H2,1-3H3,(H,15,16)(H,20,21)/t7?,9-,11-/m1/s1

IUPAC

(5R,6S)-3-[2-[[(E)-C,N-dimethylcarbonimidoyl]amino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat