5-({[(2R,4S,5R)-5-(6-Cyclopentyl-2-methyl-4-pyrimidinyl)-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-(6-Cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-5-oxopentanoic acid

ID: Reference9213

Other Names: Pentanoic acid, 5-[[[(2R,4S,5R)-5-(6-cyclopentyl-2-methyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-5-oxo-;
NAT13-341964

Formula: C23H34N4O3

Spectral Data

5-({[(2R,4S,5R)-5-(6-Cyclopentyl-2-methyl-4-pyrimidinyl)-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 1
No. of Spectra 2269
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 12:54:45 PM
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Identificators

InChI InChI=1S/C23H34N4O3/c1-15-25-20(16-5-2-3-6-16)12-21(26-15)19-14-27-10-9-17(19)11-18(27)13-24-22(28)7-4-8-23(29)30/h12,16-19H,2-11,13-14H2,1H3,(H,24,28)(H,29,30)/t17-,18+,19-/m0/s1
InChI Key NPGGQKMLWQHAPN-OTWHNJEPSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)CCCC(=O)O)C4CCCC4
CAS
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Other Names Pentanoic acid, 5-[[[(2R,4S,5R)-5-(6-cyclopentyl-2-methyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]-5-oxo-;
NAT13-341964

In Other Databases

ChemSpider 21381908
PubChem 40777017