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

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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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

In Other Databases

ChemSpider 21382557
PubChem 26762305