Systematic / IUPAC Name: 3-[(4R,7S,8aS)-1-Oxo-7-(pyridin-2-ylmethylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
ID: Reference11780
Other Names: NAT23-379396
Formula: C23H28FN5O2
N-(4-Fluorobenzyl)-3-{(4R,7S,8aS)-1-oxo-7-[(2-pyridinylmethyl)amino]octahydropyrrolo[1,2-a]pyrazin-4-yl}propanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 2324 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 9/23/2022 6:23:18 AM |
InChI | InChI=1S/C23H28FN5O2/c24-17-6-4-16(5-7-17)12-27-22(30)9-8-20-14-28-23(31)21-11-19(15-29(20)21)26-13-18-3-1-2-10-25-18/h1-7,10,19-21,26H,8-9,11-15H2,(H,27,30)(H,28,31)/t19-,20+,21-/m0/s1 |
InChI Key | VSAYKOZSSJTVIK-HBMCJLEFSA-N |
Canonical SMILES | C1C(CN2C1C(=O)NCC2CCC(=O)NCC3=CC=C(C=C3)F)NCC4=CC=CC=N4 |
CAS | |
Splash | |
Other Names | NAT23-379396 |