Systematic / IUPAC Name: 3-[(4R,7S,8aS)-7-[(1-Methylindol-3-yl)methylamino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
ID: Reference12338
Other Names: NAT23-379406
Formula: C27H32FN5O2
N-(4-Fluorobenzyl)-3-[(4R,7S,8aS)-7-{[(1-methyl-1H-indol-3-yl)methyl]amino}-1-oxooctahydropyrrolo[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 | 282 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/7/2023 11:28:02 AM |
| InChI | InChI=1S/C27H32FN5O2/c1-32-16-19(23-4-2-3-5-24(23)32)14-29-21-12-25-27(35)31-15-22(33(25)17-21)10-11-26(34)30-13-18-6-8-20(28)9-7-18/h2-9,16,21-22,25,29H,10-15,17H2,1H3,(H,30,34)(H,31,35)/t21-,22+,25-/m0/s1 |
| InChI Key | WWAYTEOJYGTRDF-FBLLAGFSSA-N |
| Canonical SMILES | CN1C=C(C2=CC=CC=C21)CNC3CC4C(=O)NCC(N4C3)CCC(=O)NCC5=CC=C(C=C5)F |
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| Other Names | NAT23-379406 |