N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-3,3-dimethylbutanamide
10357
Reference
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-3,3-dimethylbutanamide Structure
Systematic / IUPAC Name: 3,3-Dimethyl-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]butanamide
ID: Reference10357
Other Names: NAT28-405736
Formula: C25H39N3O2
Spectral Data
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-3,3-dimethylbutanamide 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 | 2 |
| No. of Spectra | 2616 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/9/2021 1:35:58 PM |
Identificators
| InChI | InChI=1S/C25H39N3O2/c1-17(2)22-11-20(12-23(29)27-15-19-8-7-9-26-14-19)18(3)10-21(22)16-28-24(30)13-25(4,5)6/h7-10,14,17,20-22H,11-13,15-16H2,1-6H3,(H,27,29)(H,28,30)/t20-,21-,22-/m0/s1 |
| InChI Key | RHESPXCWHWZSEO-FKBYEOEOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)CC(C)(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-405736 |