(1-{2-[({(2R,4S,5R)-5-[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-2-oxoethyl}cyclopentyl)acetic acid

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Systematic / IUPAC Name: 2-[1-[2-[[(2R,4S,5R)-5-[5-(Furan-2-yl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference10464

Other Names: Cyclopentaneacetic acid, 1-[2-[[[(2R,4S,5R)-5-[3-(2-furanyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-2-oxoethyl]-;
NAT13-332907

Formula: C25H34N4O4

Spectral Data

(1-{2-[({(2R,4S,5R)-5-[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-2-oxoethyl}cyclopentyl)acetic acid 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 2865
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2021 10:11:41 AM
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Identificators

InChI InChI=1S/C25H34N4O4/c1-28-21(12-20(27-28)22-5-4-10-33-22)19-16-29-9-6-17(19)11-18(29)15-26-23(30)13-25(14-24(31)32)7-2-3-8-25/h4-5,10,12,17-19H,2-3,6-9,11,13-16H2,1H3,(H,26,30)(H,31,32)/t17-,18+,19-/m0/s1
InChI Key YBWDZUJCNAXFQV-OTWHNJEPSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CO2)C3CN4CCC3CC4CNC(=O)CC5(CCCC5)CC(=O)O
CAS
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Other Names Cyclopentaneacetic acid, 1-[2-[[[(2R,4S,5R)-5-[3-(2-furanyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-2-oxoethyl]-;
NAT13-332907

In Other Databases

ChemSpider 21380871
PubChem 40779311