Systematic / IUPAC Name: 3-[(4R,7S,8aS)-1-Oxo-7-(propan-2-ylcarbamoylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-benzylpropanamide
ID: Reference9223
Other Names:
Pyrrolo[1,2-a]pyrazine-4-propanamide, octahydro-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-oxo-N-(phenylmethyl)-, (4R,7S,8aS)-;
NAT23-379496
Formula: C21H31N5O3
N-Benzyl-3-{(4R,7S,8aS)-7-[(isopropylcarbamoyl)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 FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 2039 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/16/2019 9:16:39 AM |
InChI | InChI=1S/C21H31N5O3/c1-14(2)24-21(29)25-16-10-18-20(28)23-12-17(26(18)13-16)8-9-19(27)22-11-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3,(H,22,27)(H,23,28)(H2,24,25,29)/t16-,17+,18-/m0/s1 |
InChI Key | QMFYQLRZQBXCMN-KSZLIROESA-N |
Canonical SMILES | CC(C)NC(=O)NC1CC2C(=O)NCC(N2C1)CCC(=O)NCC3=CC=CC=C3 |
CAS | |
Splash | |
Other Names |
Pyrrolo[1,2-a]pyrazine-4-propanamide, octahydro-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-oxo-N-(phenylmethyl)-, (4R,7S,8aS)-; NAT23-379496 |