4-{[(2S,4R)-4-Hydroxy-2-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid
12093
Reference
4-{[(2S,4R)-4-Hydroxy-2-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S,4R)-4-Hydroxy-2-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference12093
Other Names: NAT18-381928
Formula: C22H23N3O6S
Spectral Data
4-{[(2S,4R)-4-Hydroxy-2-(3-{[(4-methylphenyl)sulfonyl]methyl}-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 | 785 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/5/2023 9:16:50 AM |
Identificators
| InChI | InChI=1S/C22H23N3O6S/c1-14-2-8-18(9-3-14)32(29,30)13-20-23-21(31-24-20)19-10-17(26)12-25(19)11-15-4-6-16(7-5-15)22(27)28/h2-9,17,19,26H,10-13H2,1H3,(H,27,28)/t17-,19+/m1/s1 |
| InChI Key | YDQYTAREFLWNCT-MJGOQNOKSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)C(=O)O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-381928 |