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

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

ID: Reference9214

Other Names: Pentanoic acid, 5-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-5-oxo-;
NAT16-377637

Formula: C25H33N3O3

Spectral Data

5-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-5-oxopentanoic 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 3477
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:07:25 PM
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Identificators

InChI InChI=1S/C25H33N3O3/c1-16-24(18-9-12-20(15-18)26-22(29)7-6-8-23(30)31)17(2)28(27-16)21-13-10-19(11-14-21)25(3,4)5/h9-14,18,20H,6-8,15H2,1-5H3,(H,26,29)(H,30,31)/t18-,20-/m1/s1
InChI Key AAQDYZARWBIMEO-UYAOXDASSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)CCCC(=O)O
CAS
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Other Names Pentanoic acid, 5-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-5-oxo-;
NAT16-377637

In Other Databases

PubChem 40777708
ChemSpider 21385843