N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyrazinecarboxamide
11900
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyrazinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[Benzyl(methyl)amino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrazine-2-carboxamide
ID: Reference11900
Other Names: NAT5-397525
Formula: C28H38N4O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-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 | 2068 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/2/2022 8:52:48 AM |
Identificators
| InChI | InChI=1S/C28H38N4O3/c1-18(27(35)32(4)17-20-8-6-5-7-9-20)21-10-12-28(3)13-11-22(19(2)24(28)25(21)33)31-26(34)23-16-29-14-15-30-23/h5-9,14-16,18-19,21-22,24-25,33H,10-13,17H2,1-4H3,(H,31,34)/t18-,19+,21?,22-,24+,25-,28-/m0/s1 |
| InChI Key | GTWRCUQXIDEJJF-TYBDQHKBSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CC3=CC=CC=C3)O)C)NC(=O)C4=NC=CN=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397525 |