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

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Systematic / IUPAC Name: 3-[(4R,7S,8aS)-7-[(4-Methoxyphenyl)methylamino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

ID: Reference12765

Other Names: NAT23-379402

Formula: C25H31FN4O3

Spectral Data

N-(4-Fluorobenzyl)-3-{(4R,7S,8aS)-7-[(4-methoxybenzyl)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
No. of Spectral Trees 1
No. of Spectra 1241
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/12/2023 12:59:28 PM
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Identificators

InChI InChI=1S/C25H31FN4O3/c1-33-22-9-4-18(5-10-22)13-27-20-12-23-25(32)29-15-21(30(23)16-20)8-11-24(31)28-14-17-2-6-19(26)7-3-17/h2-7,9-10,20-21,23,27H,8,11-16H2,1H3,(H,28,31)(H,29,32)/t20-,21+,23-/m0/s1
InChI Key XSXGZAXRCSAXGO-XJUOHMSHSA-N
Canonical SMILES COC1=CC=C(C=C1)CNC2CC3C(=O)NCC(N3C2)CCC(=O)NCC4=CC=C(C=C4)F
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Other Names NAT23-379402

In Other Databases

PubChem 45360654
ChemSpider 21382514