N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}isonicotinamide
11461
Reference
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}isonicotinamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-4-carboxamide
ID: Reference11461
Other Names: NAT5-397738
Formula: C27H42N4O4
Spectral Data
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}isonicotinamide 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 | 2759 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/13/2022 8:19:59 AM |
Identificators
| InChI | InChI=1S/C27H42N4O4/c1-18(25(33)29-12-13-31-14-16-35-17-15-31)21-4-8-27(3)9-5-22(19(2)23(27)24(21)32)30-26(34)20-6-10-28-11-7-20/h6-7,10-11,18-19,21-24,32H,4-5,8-9,12-17H2,1-3H3,(H,29,33)(H,30,34)/t18-,19+,21?,22-,23+,24-,27-/m0/s1 |
| InChI Key | NNWBKAZWOCFVGA-LJHFBYDZSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCCN3CCOCC3)O)C)NC(=O)C4=CC=NC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397738 |