(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethoxy)acetic acid

enlarge

Systematic / IUPAC Name: 2-[2-[[(1S,4S)-4-[1-(4-tert-Butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethoxy]acetic acid

ID: Reference9218

Other Names: Acetic acid, 2-[2-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethoxy]-;
NAT16-377639

Formula: C24H31N3O4

Spectral Data

(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethoxy)acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 4117
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:21:34 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H31N3O4/c1-15-23(17-6-9-19(12-17)25-21(28)13-31-14-22(29)30)16(2)27(26-15)20-10-7-18(8-11-20)24(3,4)5/h6-11,17,19H,12-14H2,1-5H3,(H,25,28)(H,29,30)/t17-,19-/m1/s1
InChI Key KUEGMVLQOPRURO-IEBWSBKVSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)COCC(=O)O
CAS
Splash
Other Names Acetic acid, 2-[2-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethoxy]-;
NAT16-377639

In Other Databases

PubChem 40777712
ChemSpider 21385845