N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}cyclohexanecarboxamide
12301
Reference
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]cyclohexanecarboxamide
ID: Reference12301
Other Names: NAT8-263916
Formula: C26H36N4O4S2
Spectral Data
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}cyclohexanecarboxamide 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 | 1280 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/24/2023 1:25:32 PM |
Identificators
| InChI | InChI=1S/C26H36N4O4S2/c1-25-9-8-19(32)26(2,14-31)18(25)13-17-21(16(25)12-20(33)28-23-27-10-11-35-23)29-24(36-17)30-22(34)15-6-4-3-5-7-15/h10-11,15-16,18-19,31-32H,3-9,12-14H2,1-2H3,(H,27,28,33)(H,29,30,34)/t16-,18+,19-,25+,26+/m1/s1 |
| InChI Key | ZVALXHJHAOIZAX-ORRJGVMRSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NC4=NC=CS4)N=C(S3)NC(=O)C5CCCCC5)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263916 |