[1-(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)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-[1-(4-tert-Butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference9215

Other Names: Cyclopentaneacetic acid, 1-[2-[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethyl]-;
NAT16-377638

Formula: C29H39N3O3

Spectral Data

[1-(2-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4110
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:15:24 PM
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Identificators

InChI InChI=1S/C29H39N3O3/c1-19-27(20(2)32(31-19)24-12-9-22(10-13-24)28(3,4)5)21-8-11-23(16-21)30-25(33)17-29(18-26(34)35)14-6-7-15-29/h8-13,21,23H,6-7,14-18H2,1-5H3,(H,30,33)(H,34,35)/t21-,23-/m1/s1
InChI Key OAGDPNGQFQRHGX-FYYLOGMGSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)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-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-2-oxoethyl]-;
NAT16-377638

In Other Databases

PubChem 40777710
ChemSpider 21385844