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}-2-pyrazinecarboxamide
12132
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}-2-pyrazinecarboxamide 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]pyrazine-2-carboxamide
ID: Reference12132
Other Names: NAT5-397523
Formula: C26H41N5O4
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}-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 | 1 |
| No. of Spectra | 2885 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 1:17:44 PM |
Identificators
| InChI | InChI=1S/C26H41N5O4/c1-17(24(33)29-10-11-31-12-14-35-15-13-31)19-4-6-26(3)7-5-20(18(2)22(26)23(19)32)30-25(34)21-16-27-8-9-28-21/h8-9,16-20,22-23,32H,4-7,10-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,18+,19?,20-,22+,23-,26-/m0/s1 |
| InChI Key | XFOLONRXEUKXCE-QWTTUZLDSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCCN3CCOCC3)O)C)NC(=O)C4=NC=CN=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397523 |