2-[(1S,4S,5S)-4-{[(Cyclohexylcarbamoyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
10392
Reference
2-[(1S,4S,5S)-4-{[(Cyclohexylcarbamoyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[(Cyclohexylcarbamoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10392
Other Names: NAT28-405705
Formula: C26H40N4O2
Spectral Data
2-[(1S,4S,5S)-4-{[(Cyclohexylcarbamoyl)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 | 2276 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2021 10:54:35 AM |
Identificators
| InChI | InChI=1S/C26H40N4O2/c1-18(2)24-13-21(14-25(31)28-16-20-8-7-11-27-15-20)19(3)12-22(24)17-29-26(32)30-23-9-5-4-6-10-23/h7-8,11-12,15,18,21-24H,4-6,9-10,13-14,16-17H2,1-3H3,(H,28,31)(H2,29,30,32)/t21-,22-,24-/m0/s1 |
| InChI Key | JTTPSRQRBBOCDL-FIXSFTCYSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)NC3CCCCC3 |
| CAS | |
| Splash | |
| Other Names | NAT28-405705 |