3-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide
11920
Reference
3-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-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-[methyl(prop-2-ynyl)amino]-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-3-fluorobenzamide
ID: Reference11920
Other Names: NAT8-264312
Formula: C27H32FN3O4S
Spectral Data
3-Fluoro-N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-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 | 964 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2022 9:56:49 AM |
Identificators
| InChI | InChI=1S/C27H32FN3O4S/c1-5-11-31(4)22(34)13-18-23-19(14-20-26(18,2)10-9-21(33)27(20,3)15-32)36-25(29-23)30-24(35)16-7-6-8-17(28)12-16/h1,6-8,12,18,20-21,32-33H,9-11,13-15H2,2-4H3,(H,29,30,35)/t18-,20+,21-,26+,27+/m1/s1 |
| InChI Key | UKGHXWALLCHGMD-BWSFKYGTSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC#C)N=C(S3)NC(=O)C4=CC(=CC=C4)F)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-264312 |