N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenoxyacetyl)amino]methyl}-2-cyclohexen-1-yl]acetamide
10458
Reference
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenoxyacetyl)amino]methyl}-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-[(4-Cyanophenyl)methyl]-2-[(1S,4S,5S)-2-methyl-4-[[(2-phenoxyacetyl)amino]methyl]-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
ID: Reference10458
Other Names: NAT28-408387
Formula: C29H35N3O3
Spectral Data
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenoxyacetyl)amino]methyl}-2-cyclohexen-1-yl]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 | 2 |
| No. of Spectra | 4179 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 9:14:32 AM |
Identificators
| InChI | InChI=1S/C29H35N3O3/c1-20(2)27-14-24(15-28(33)31-17-23-11-9-22(16-30)10-12-23)21(3)13-25(27)18-32-29(34)19-35-26-7-5-4-6-8-26/h4-13,20,24-25,27H,14-15,17-19H2,1-3H3,(H,31,33)(H,32,34)/t24-,25-,27-/m0/s1 |
| InChI Key | BLMUUSHYSUGIDO-KLJDGLGGSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)COC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-408387 |