N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide
11245
Reference
N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,7S,8S,8aS)-7-[(2S)-1-(tert-Butylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
ID: Reference11245
Other Names: NAT5-397829
Formula: C25H39N3O3
Spectral Data
N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide 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 | 3090 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/15/2024 2:29:09 PM |
Identificators
| InChI | InChI=1S/C25H39N3O3/c1-15(22(30)28-24(3,4)5)17-10-12-25(6)13-11-18(16(2)20(25)21(17)29)27-23(31)19-9-7-8-14-26-19/h7-9,14-18,20-21,29H,10-13H2,1-6H3,(H,27,31)(H,28,30)/t15-,16+,17-,18-,20+,21-,25-/m0/s1 |
| InChI Key | AOFNODJZGVWRKI-DZBILWESSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC(C)(C)C)O)C)NC(=O)C3=CC=CC=N3 |
| CAS | |
| Splash | |
| Other Names | NAT5-397829 |