2-[(1S,4S,5S)-4-{[(Benzylcarbamoyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
10443
Reference
2-[(1S,4S,5S)-4-{[(Benzylcarbamoyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[(Benzylcarbamoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10443
Other Names: NAT28-405702
Formula: C27H36N4O2
Spectral Data
2-[(1S,4S,5S)-4-{[(Benzylcarbamoyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide 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 | 1435 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/6/2021 12:53:11 PM |
Identificators
| InChI | InChI=1S/C27H36N4O2/c1-19(2)25-13-23(14-26(32)29-17-22-10-7-11-28-15-22)20(3)12-24(25)18-31-27(33)30-16-21-8-5-4-6-9-21/h4-12,15,19,23-25H,13-14,16-18H2,1-3H3,(H,29,32)(H2,30,31,33)/t23-,24-,25-/m0/s1 |
| InChI Key | BXSOJUOGRXVQMH-SDHOMARFSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)NCC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-405702 |