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

ID: Reference9216

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]-3,3-dimethyl-5-oxo-;
NAT16-377640

Formula: C27H37N3O3

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}-3,3-dimethyl-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 3749
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:18:06 PM
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Identificators

InChI InChI=1S/C27H37N3O3/c1-17-25(18(2)30(29-17)22-12-9-20(10-13-22)26(3,4)5)19-8-11-21(14-19)28-23(31)15-27(6,7)16-24(32)33/h8-13,19,21H,14-16H2,1-7H3,(H,28,31)(H,32,33)/t19-,21-/m1/s1
InChI Key ICFXXNSEAAUCBX-TZIWHRDSSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)CC(C)(C)CC(=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]-3,3-dimethyl-5-oxo-;
NAT16-377640

In Other Databases

ChemSpider 21385846
PubChem 40777714