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5,3-AB-CHMFUPPYCA
SpectraBase Compound ID WqrALvFj36
InChI InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29)/t20-/m0/s1
InChIKey XMZXGVYPIIOHAQ-FQEVSTJZSA-N
Mol Weight 400.5 g/mol
Molecular Formula C22H29FN4O2
Exact Mass 400.227454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d6phjxcrU1
Name AB-CHMFUPPYCA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29FN4O2
InChI InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29)/t20-/m0/s1
InChIKey XMZXGVYPIIOHAQ-FQEVSTJZSA-N
Molecular Weight 400.498 g/mol
SMILES N(C(c1n[n](c(-c2ccc(cc2)F)c1)CC1CCCCC1)=O)[C@](C(N)=O)(C(C)C)[H]
SPLASH splash10-0a4i-5690000000-db30daf4f75b1d129e71
Source of Spectrum SWG-33-4473-0
Synonyms AB-CHFUPYCA N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide 5,3-AB-CHMFUPPYCA (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Wiley ID 1811075