N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Chlorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyridinecarboxamide
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Chlorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyridinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[(2-Chlorophenyl)methylamino]-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: Reference9666
Other Names:
2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-7-[(1S)-2-[[(2-chlorophenyl)methyl]amino]-1-methyl-2-oxoethyl]decahydro-8-hydroxy-1,4a-dimethyl-2-naphthalenyl]-;
NAT5-397830
Formula: C28H36ClN3O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Chlorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-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 | 779 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/11/2020 8:21:49 AM |
Identificators
| InChI | InChI=1S/C28H36ClN3O3/c1-17(26(34)31-16-19-8-4-5-9-21(19)29)20-11-13-28(3)14-12-22(18(2)24(28)25(20)33)32-27(35)23-10-6-7-15-30-23/h4-10,15,17-18,20,22,24-25,33H,11-14,16H2,1-3H3,(H,31,34)(H,32,35)/t17-,18+,20?,22-,24+,25-,28-/m0/s1 |
| InChI Key | YTVBVNDIRFEGOV-ZFSMXKGPSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3Cl)O)C)NC(=O)C4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names |
2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-7-[(1S)-2-[[(2-chlorophenyl)methyl]amino]-1-methyl-2-oxoethyl]decahydro-8-hydroxy-1,4a-dimethyl-2-naphthalenyl]-; NAT5-397830 |