N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyrazinecarboxamide
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyrazinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrazine-2-carboxamide
ID: Reference9668
Other Names:
2-Pyrazinecarboxamide, N-[(1S,2S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]-2-naphthalenyl]-;
NAT5-397549
Formula: C26H35N5O3
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyrazinecarboxamide 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 | 2 |
| No. of Spectra | 1566 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/6/2023 8:49:39 AM |
Identificators
| InChI | InChI=1S/C26H35N5O3/c1-16(24(33)30-14-18-6-4-5-11-28-18)19-7-9-26(3)10-8-20(17(2)22(26)23(19)32)31-25(34)21-15-27-12-13-29-21/h4-6,11-13,15-17,19-20,22-23,32H,7-10,14H2,1-3H3,(H,30,33)(H,31,34)/t16-,17+,19?,20-,22+,23-,26-/m0/s1 |
| InChI Key | AYDKLVIMJUGXBS-YCHDLCTHSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=N3)O)C)NC(=O)C4=NC=CN=C4 |
| CAS | |
| Splash | |
| Other Names |
2-Pyrazinecarboxamide, N-[(1S,2S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]-2-naphthalenyl]-; NAT5-397549 |