[(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethyl)sulfanyl]acetic acid
12657
Reference
[(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethyl)sulfanyl]acetic acid Structure
Systematic / IUPAC Name: 2-[2-[[(1S,4S)-4-[3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
ID: Reference12657
Other Names: NAT16-368441
Formula: C21H22F3N3O3S
Spectral Data
[(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethyl)sulfanyl]acetic 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 | 634 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/17/2023 9:02:43 AM |
Identificators
| InChI | InChI=1S/C21H22F3N3O3S/c1-12-20(14-3-6-16(9-14)25-18(28)10-31-11-19(29)30)13(2)27(26-12)17-7-4-15(5-8-17)21(22,23)24/h3-8,14,16H,9-11H2,1-2H3,(H,25,28)(H,29,30)/t14-,16-/m1/s1 |
| InChI Key | WGQAZLJSYGKTPD-GDBMZVCRSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)CSCC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT16-368441 |