(3S)-N3-[(2S)-1-amino-1-oxo-3-(3-pyridinyl)-2-propanyl]-N1-isopropyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide
13109
Reference
(3S)-N3-[(2S)-1-amino-1-oxo-3-(3-pyridinyl)-2-propanyl]-N1-isopropyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide Structure
Systematic / IUPAC Name: (3S)-3-N-[(2S)-1-Amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-1-N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide
ID: Reference13109
Other Names: NAT9-304894
Formula: C22H28N6O4S
Spectral Data
(3S)-N3-[(2S)-1-amino-1-oxo-3-(3-pyridinyl)-2-propanyl]-N1-isopropyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide 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 | 2300 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/19/2024 3:02:40 PM |
Identificators
| InChI | InChI=1S/C22H28N6O4S/c1-14(2)25-22(32)27-8-9-28(21(31)18-6-4-10-33-18)17(13-27)20(30)26-16(19(23)29)11-15-5-3-7-24-12-15/h3-7,10,12,14,16-17H,8-9,11,13H2,1-2H3,(H2,23,29)(H,25,32)(H,26,30)/t16-,17-/m0/s1 |
| InChI Key | LTLXTLDFCPCYOW-IRXDYDNUSA-N |
| Canonical SMILES | CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)N)C(=O)C3=CC=CS3 |
| CAS | |
| Splash | |
| Other Names | NAT9-304894 |