[1-(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethyl)cyclopentyl]acetic acid

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Systematic / IUPAC Name: 2-[1-[2-[[(1S,4S)-4-[3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference9278

Other Names: Cyclopentaneacetic acid, 1-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethyl]-;
NAT16-368438

Formula: C26H30F3N3O3

Spectral Data

[1-(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-2-oxoethyl)cyclopentyl]acetic 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
No. of Spectral Trees 2
No. of Spectra 3893
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/14/2020 10:47:00 AM
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Identificators

InChI InChI=1S/C26H30F3N3O3/c1-16-24(17(2)32(31-16)21-9-6-19(7-10-21)26(27,28)29)18-5-8-20(13-18)30-22(33)14-25(15-23(34)35)11-3-4-12-25/h5-10,18,20H,3-4,11-15H2,1-2H3,(H,30,33)(H,34,35)/t18-,20-/m1/s1
InChI Key VERLJHRTWSOIEL-UYAOXDASSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)CC4(CCCC4)CC(=O)O
CAS
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Other Names Cyclopentaneacetic acid, 1-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethyl]-;
NAT16-368438

In Other Databases

ChemSpider 21385804
PubChem 40777675