1-(8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl) 6-Fluoro L-DOPA

Analyte Name

1-(8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl) 6-Fluoro L-DOPA

Molecular Formula

C21 H29 F N2 O5 S

Molecular Weight

440.529

Accurate Mass

440.178

SMILES

COc1cc(F)c(C[C@H](N)C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)cc1OC

InChI

InChI=1S/C21H29FN2O5S/c1-20(2)13-5-6-21(20)11-30(26,27)24(18(21)9-13)19(25)15(23)7-12-8-16(28-3)17(29-4)10-14(12)22/h8,10,13,15,18H,5-7,9,11,23H2,1-4H3/t13?,15-,18?,21?/m0/s1

IUPAC

(2S)-2-amino-1-(10,10-dimethyl-3,3-dioxo-3?6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat