4-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide
11844
Reference
4-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluorobenzamide
ID: Reference11844
Other Names: NAT8-258860
Formula: C31H36FN3O4S
Spectral Data
4-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1165 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/10/2022 2:22:16 PM |
Identificators
| InChI | InChI=1S/C31H36FN3O4S/c1-18(19-7-5-4-6-8-19)33-26(38)15-22-27-23(16-24-30(22,2)14-13-25(37)31(24,3)17-36)40-29(34-27)35-28(39)20-9-11-21(32)12-10-20/h4-12,18,22,24-25,36-37H,13-17H2,1-3H3,(H,33,38)(H,34,35,39)/t18-,22+,24-,25+,30-,31-/m0/s1 |
| InChI Key | RRTBJVQUYRKRIW-JTOPWDJSSA-N |
| Canonical SMILES | CC(C1=CC=CC=C1)NC(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)C5=CC=C(C=C5)F |
| CAS | |
| Splash | |
| Other Names | NAT8-258860 |