5-{[(1S,4S)-4-(3,5-Dimethyl-1-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-(3,5-Dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

ID: Reference9377

Other Names: Pentanoic acid, 5-[[(1S,4S)-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-cyclopenten-1-yl]amino]-3,3-dimethyl-5-oxo-;
NAT16-353163

Formula: C23H29N3O3

Spectral Data

5-{[(1S,4S)-4-(3,5-Dimethyl-1-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
No. of Spectral Trees 2
No. of Spectra 2871
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/17/2020 7:23:13 AM
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Identificators

InChI InChI=1S/C23H29N3O3/c1-15-22(16(2)26(25-15)19-8-6-5-7-9-19)17-10-11-18(12-17)24-20(27)13-23(3,4)14-21(28)29/h5-11,17-18H,12-14H2,1-4H3,(H,24,27)(H,28,29)/t17-,18-/m1/s1
InChI Key YAYPFVMGQHXPBU-QZTJIDSGSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=CC=C2)C)C3CC(C=C3)NC(=O)CC(C)(C)CC(=O)O
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Other Names Pentanoic acid, 5-[[(1S,4S)-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-cyclopenten-1-yl]amino]-3,3-dimethyl-5-oxo-;
NAT16-353163

In Other Databases

ChemSpider 21385675
PubChem 26743403