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

ID: Reference12800

Other Names: NAT23-379469

Formula: C27H37N5O3

Spectral Data

3-[(4R,7S,8aS)-7-{[4-(Dimethylamino)benzyl]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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 247
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/5/2023 9:54:53 AM
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Identificators

InChI InChI=1S/C27H37N5O3/c1-31(2)22-8-4-19(5-9-22)15-28-21-14-25-27(34)30-17-23(32(25)18-21)10-13-26(33)29-16-20-6-11-24(35-3)12-7-20/h4-9,11-12,21,23,25,28H,10,13-18H2,1-3H3,(H,29,33)(H,30,34)/t21-,23+,25-/m0/s1
InChI Key ACSGJLWEPQYNHD-PWWKTKHKSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)CNC2CC3C(=O)NCC(N3C2)CCC(=O)NCC4=CC=C(C=C4)OC
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Other Names NAT23-379469

In Other Databases

PubChem 45360664
ChemSpider 21382540