(2S)-N-(2-Cyanoethyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-7-[(methoxyacetyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-methylpropanamide
13143
Reference
(2S)-N-(2-Cyanoethyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-7-[(methoxyacetyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-methylpropanamide Structure
Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-7-[(2-methoxyacetyl)amino]-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(2-cyanoethyl)-N-methylpropanamide
ID: Reference13143
Other Names: NAT5-397199
Formula: C22H37N3O4
Spectral Data
(2S)-N-(2-Cyanoethyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-7-[(methoxyacetyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-methylpropanamide 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 | 2814 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/17/2024 5:32:04 PM |
Identificators
| InChI | InChI=1S/C22H37N3O4/c1-14(21(28)25(4)12-6-11-23)16-7-9-22(3)10-8-17(24-18(26)13-29-5)15(2)19(22)20(16)27/h14-17,19-20,27H,6-10,12-13H2,1-5H3,(H,24,26)/t14-,15+,16?,17-,19+,20-,22-/m0/s1 |
| InChI Key | JYIBFERRNVZOGH-OGUPSYOZSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CCC#N)O)C)NC(=O)COC |
| CAS | |
| Splash | |
| Other Names | NAT5-397199 |