N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(3-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(3-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
ID: Reference9506
Other Names:
2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-[(3-pyridinylmethyl)amino]ethyl]-2-naphthalenyl]-;
NAT5-397851
Formula: C27H36N4O3
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(3-pyridinylmethyl)amino]-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 | 1723 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/19/2020 6:35:22 AM |
Identificators
| InChI | InChI=1S/C27H36N4O3/c1-17(25(33)30-16-19-7-6-13-28-15-19)20-9-11-27(3)12-10-21(18(2)23(27)24(20)32)31-26(34)22-8-4-5-14-29-22/h4-8,13-15,17-18,20-21,23-24,32H,9-12,16H2,1-3H3,(H,30,33)(H,31,34)/t17-,18+,20?,21-,23+,24-,27-/m0/s1 |
| InChI Key | ZIOXXWSNAPVHHK-VFVRIHJJSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CN=CC=C3)O)C)NC(=O)C4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names |
2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-[(3-pyridinylmethyl)amino]ethyl]-2-naphthalenyl]-; NAT5-397851 |