4-{[(2S)-2-(3-{6-[(Methoxyacetyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid
12189
Reference
4-{[(2S)-2-(3-{6-[(Methoxyacetyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-[6-[(2-Methoxyacetyl)amino]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference12189
Other Names: NAT18-437815
Formula: C22H23N5O5
Spectral Data
4-{[(2S)-2-(3-{6-[(Methoxyacetyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2461 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2023 4:02:21 PM |
Identificators
| InChI | InChI=1S/C22H23N5O5/c1-31-13-19(28)24-18-9-8-16(11-23-18)20-25-21(32-26-20)17-3-2-10-27(17)12-14-4-6-15(7-5-14)22(29)30/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,29,30)(H,23,24,28)/t17-/m0/s1 |
| InChI Key | NOVRDAINZSDPNR-KRWDZBQOSA-N |
| Canonical SMILES | COCC(=O)NC1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-437815 |