N-[(4S,4aR,7R,8R,8aS)-4-[2-(Cyclopropylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-fluorobenzamide

enlarge

Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(Cyclopropylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluorobenzamide

ID: Reference8997

Other Names: NAT8-258846

Formula: C26H32FN3O4S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-4-[2-(Cyclopropylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-fluorobenzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3857
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2024 12:52:31 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H32FN3O4S/c1-25-10-9-20(32)26(2,13-31)19(25)12-18-22(17(25)11-21(33)28-16-7-8-16)29-24(35-18)30-23(34)14-3-5-15(27)6-4-14/h3-6,16-17,19-20,31-32H,7-13H2,1-2H3,(H,28,33)(H,29,30,34)/t17-,19+,20-,25+,26+/m1/s1
InChI Key PMIONSMPLAENII-BTMGPYGNSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)NC4CC4)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O
CAS
Splash
Other Names NAT8-258846

In Other Databases

ChemSpider 10041389
PubChem 11867056