5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-[[(2R,4S,5R)-5-(2-Methyl-5-thiophen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-5-oxopentanoic acid

ID: Reference9054

Other Names: Pentanoic acid, 5-[[[(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-5-oxo-;
NAT13-333144

Formula: C21H28N4O3S

Spectral Data

5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-5-oxopentanoic 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3982
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 12:03:28 PM
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Identificators

InChI InChI=1S/C21H28N4O3S/c1-24-18(11-17(23-24)19-4-3-9-29-19)16-13-25-8-7-14(16)10-15(25)12-22-20(26)5-2-6-21(27)28/h3-4,9,11,14-16H,2,5-8,10,12-13H2,1H3,(H,22,26)(H,27,28)/t14-,15+,16-/m0/s1
InChI Key VYBHBSBDHQAFGG-XHSDSOJGSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4CNC(=O)CCCC(=O)O
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Other Names Pentanoic acid, 5-[[[(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-5-oxo-;
NAT13-333144

In Other Databases

ChemSpider 21380902
PubChem 40779355