N-Cyclopentyl-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide
10622
Reference
N-Cyclopentyl-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-Cyclopentyl-2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylcarbamoylamino)methyl]cyclohex-2-en-1-yl]acetamide
ID: Reference10622
Other Names: NAT28-403241
Formula: C22H39N3O2
Spectral Data
N-Cyclopentyl-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-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 | 1 |
| No. of Spectra | 2710 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/2/2021 7:22:32 AM |
Identificators
| InChI | InChI=1S/C22H39N3O2/c1-14(2)20-11-17(12-21(26)25-19-8-6-7-9-19)16(5)10-18(20)13-23-22(27)24-15(3)4/h10,14-15,17-20H,6-9,11-13H2,1-5H3,(H,25,26)(H2,23,24,27)/t17-,18-,20-/m0/s1 |
| InChI Key | JVUBVKXKUPQSRH-BJLQDIEVSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NC2CCCC2)C(C)C)CNC(=O)NC(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-403241 |