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
(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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 4435 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/14/2021 10:11:41 AM |
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 |