N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamide
11834
Reference
N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamide Structure
Systematic / IUPAC Name: N-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
ID: Reference11834
Other Names: NAT5-257290
Formula: C35H52N6O4S
Spectral Data
N-{(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]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 | 2320 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/10/2022 1:48:57 PM |
Identificators
| InChI | InChI=1S/C35H52N6O4S/c1-23(32(43)36-11-12-40-17-19-45-20-18-40)27-9-10-35(3)21-28-30(24(2)29(35)31(27)42)37-34(46-28)38-33(44)26-7-5-25(6-8-26)22-41-15-13-39(4)14-16-41/h5-8,23-24,27,29,31,42H,9-22H2,1-4H3,(H,36,43)(H,37,38,44)/t23-,24-,27?,29+,31-,35-/m0/s1 |
| InChI Key | XBUNPAUSTXWNJX-JPUIBQGFSA-N |
| Canonical SMILES | |
| CAS | |
| Splash | |
| Other Names | NAT5-257290 |