Analyte Name

(S)-5-fluoro ADB

CAS Number

1971007-89-2

Molecular Formula

C20H28FN3O3

Molecular Weight

377.46

Accurate Mass

377.2

SMILES

C(N[C@H](C(OC)=O)[C@](C)(C)C)(=O)C=1C=2C(N(CCCCCF)N1)=CC=CC2

InChI

InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1

IUPAC

methyl (S)-2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate

Alternate CAS Number

(R)-1838134-16-9; rac: 1715016-75-3

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile