N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-methoxybenzamide
12332
Reference
N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-methoxybenzamide Structure
Systematic / IUPAC Name: N-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-2-yl]-4-methoxybenzamide
ID: Reference12332
Other Names: NAT5-257288
Formula: C28H37N3O4S
Spectral Data
N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-methoxybenzamide 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 | 1850 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/3/2023 8:42:16 AM |
Identificators
| InChI | InChI=1S/C28H37N3O4S/c1-16(26(34)31-13-5-6-14-31)20-11-12-28(3)15-21-23(17(2)22(28)24(20)32)29-27(36-21)30-25(33)18-7-9-19(35-4)10-8-18/h7-10,16-17,20,22,24,32H,5-6,11-15H2,1-4H3,(H,29,30,33)/t16-,17-,20?,22+,24-,28-/m0/s1 |
| InChI Key | ZMQMYRNVMFQMLA-RIDAEHOLSA-N |
| Canonical SMILES | CC1C2C(C(CCC2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)OC)C)C(C)C(=O)N5CCCC5)O |
| CAS | |
| Splash | |
| Other Names | NAT5-257288 |