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

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

ID: Reference9219

Other Names: Butanoic acid, 4-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-4-oxo-;
NAT16-377642

Formula: C24H31N3O3

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3624
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:23:44 PM
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Identificators

InChI InChI=1S/C24H31N3O3/c1-15-23(17-6-9-19(14-17)25-21(28)12-13-22(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 QPYBOTJVQJDQIZ-IEBWSBKVSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)CCC(=O)O
CAS
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Other Names Butanoic acid, 4-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-4-oxo-;
NAT16-377642

In Other Databases

ChemSpider 21385848
PubChem 40777718