N-(4-Methoxybenzyl)-3-[(4R,7S,8aS)-7-{[(1-methyl-1H-indol-3-yl)methyl]amino}-1-oxooctahydropyrrolo[1,2-a]pyrazin-4-yl]propanamide
12682
Reference
N-(4-Methoxybenzyl)-3-[(4R,7S,8aS)-7-{[(1-methyl-1H-indol-3-yl)methyl]amino}-1-oxooctahydropyrrolo[1,2-a]pyrazin-4-yl]propanamide Structure
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-methoxyphenyl)methyl]propanamide
ID: Reference12682
Other Names: NAT23-379471
Formula: C28H35N5O3
Spectral Data
N-(4-Methoxybenzyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1670 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/28/2023 6:54:52 AM |
Identificators
| InChI | InChI=1S/C28H35N5O3/c1-32-17-20(24-5-3-4-6-25(24)32)15-29-21-13-26-28(35)31-16-22(33(26)18-21)9-12-27(34)30-14-19-7-10-23(36-2)11-8-19/h3-8,10-11,17,21-22,26,29H,9,12-16,18H2,1-2H3,(H,30,34)(H,31,35)/t21-,22+,26-/m0/s1 |
| InChI Key | JCIBCCBRKHCWGQ-VRUMLPLGSA-N |
| Canonical SMILES | CN1C=C(C2=CC=CC=C21)CNC3CC4C(=O)NCC(N4C3)CCC(=O)NCC5=CC=C(C=C5)OC |
| CAS | |
| Splash | |
| Other Names | NAT23-379471 |