Analyte Name

5-(((11R)-3-Chloro-6-methyl-6,11-dihydrodibenzo(c,f)(1,2)thiazepin-11-yl)amino)pentanoic Acid S,S-Dioxide

CAS Number

1485294-22-1

Molecular Formula

C19 H21 Cl N2 O4 S

Molecular Weight

408.899

Accurate Mass

408.091

SMILES

CN1c2ccccc2[C@@H](NCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O

InChI

InChI=1S/C19H21ClN2O4S/c1-22-16-7-3-2-6-14(16)19(21-11-5-4-8-18(23)24)15-10-9-13(20)12-17(15)27(22,25)26/h2-3,6-7,9-10,12,19,21H,4-5,8,11H2,1H3,(H,23,24)/t19-/m1/s1

IUPAC

5-[[(11R)-3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl]amino]pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat