3-{(4R,7S,8aS)-7-[(Isopropylcarbamoyl)amino]-1-oxooctahydropyrrolo[1,2-a]pyrazin-4-yl}-N-(4-methoxybenzyl)propanamide

enlarge

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-[(4-methoxyphenyl)methyl]propanamide

ID: Reference9225

Other Names: Pyrrolo[1,2-a]pyrazine-4-propanamide, octahydro-N-[(4-methoxyphenyl)methyl]-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-oxo-, (4R,7S,8aS)-;
NAT23-379431

Formula: C22H33N5O4

Spectral Data

3-{(4R,7S,8aS)-7-[(Isopropylcarbamoyl)amino]-1-oxooctahydropyrrolo[1,2-a]pyrazin-4-yl}-N-(4-methoxybenzyl)propanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 4449
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 9:23:17 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H33N5O4/c1-14(2)25-22(30)26-16-10-19-21(29)24-12-17(27(19)13-16)6-9-20(28)23-11-15-4-7-18(31-3)8-5-15/h4-5,7-8,14,16-17,19H,6,9-13H2,1-3H3,(H,23,28)(H,24,29)(H2,25,26,30)/t16-,17+,19-/m0/s1
InChI Key LTHPPKCJRYGNCC-SCTDSRPQSA-N
Canonical SMILES CC(C)NC(=O)NC1CC2C(=O)NCC(N2C1)CCC(=O)NCC3=CC=C(C=C3)OC
CAS
Splash
Other Names Pyrrolo[1,2-a]pyrazine-4-propanamide, octahydro-N-[(4-methoxyphenyl)methyl]-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-oxo-, (4R,7S,8aS)-;
NAT23-379431

In Other Databases

PubChem 26762283
ChemSpider 21382526