Ethyl 3-({[(3R,4S)-3-ethyl-4-(2-{[2-(methylsulfanyl)ethyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}amino)benzoate
12262
Reference
Ethyl 3-({[(3R,4S)-3-ethyl-4-(2-{[2-(methylsulfanyl)ethyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}amino)benzoate Structure
Systematic / IUPAC Name: Ethyl 3-[[(3R,4S)-3-ethyl-4-[2-(2-methylsulfanylethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]benzoate
ID: Reference12262
Other Names: NAT14-323754
Formula: C22H33N3O4S
Spectral Data
Ethyl 3-({[(3R,4S)-3-ethyl-4-(2-{[2-(methylsulfanyl)ethyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}amino)benzoate 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 | 1098 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:45:45 AM |
Identificators
| InChI | InChI=1S/C22H33N3O4S/c1-4-16-15-25(11-9-17(16)14-20(26)23-10-12-30-3)22(28)24-19-8-6-7-18(13-19)21(27)29-5-2/h6-8,13,16-17H,4-5,9-12,14-15H2,1-3H3,(H,23,26)(H,24,28)/t16-,17-/m0/s1 |
| InChI Key | PGXIKUBLYKECDL-IRXDYDNUSA-N |
| Canonical SMILES | CCC1CN(CCC1CC(=O)NCCSC)C(=O)NC2=CC=CC(=C2)C(=O)OCC |
| CAS | |
| Splash | |
| Other Names | NAT14-323754 |