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

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

ID: Reference11885

Other Names: NAT23-379404

Formula: C26H34FN5O2

Spectral Data

3-[(4R,7S,8aS)-7-{[4-(Dimethylamino)benzyl]amino}-1-oxooctahydropyrrolo[1,2-a]pyrazin-4-yl]-N-(4-fluorobenzyl)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 425
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/31/2022 11:40:12 AM
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Identificators

InChI InChI=1S/C26H34FN5O2/c1-31(2)22-9-5-19(6-10-22)14-28-21-13-24-26(34)30-16-23(32(24)17-21)11-12-25(33)29-15-18-3-7-20(27)8-4-18/h3-10,21,23-24,28H,11-17H2,1-2H3,(H,29,33)(H,30,34)/t21-,23+,24-/m0/s1
InChI Key YPFZEOQBIGKEJQ-QTJGBDASSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)CNC2CC3C(=O)NCC(N3C2)CCC(=O)NCC4=CC=C(C=C4)F
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Other Names NAT23-379404

In Other Databases

ChemSpider 21382515
PubChem 45360655