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CHEBI:41677 - 3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide

ChEBI IDCHEBI:41677
ChEBI Name3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide
Stars
ASCII Name3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide
Last Modified28 November 2014
DownloadsMolfile
FormulaC20H22F4N4O4S
Net Charge0
Average Mass490.479
Monoisotopic Mass490.12979
SMILES[H]c1c([H])c([C@]([H])(N([H])[C@]([H])(C(=O)N([H])C2(C#N)C([H])([H])C2([H])[H])C([H])([H])S(=O)(=O)C([H])([H])[C@@]2([H])N([H])C(=O)C([H])([H])C2([H])[H])C(F)(F)F)c([H])c([H])c1F
InChIInChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1
InChIKeyJLPXDVXMMYRTKN-ZOBUZTSGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a L-alanine derivative (CHEBI:83943)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a carbocyclic compound (CHEBI:33598)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a monofluorobenzenes (CHEBI:83575)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a nitrile (CHEBI:18379)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a pyrrolidin-2-ones (CHEBI:74223)
3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alanin[N-(1-cyanocyclopropyl)]amide (CHEBI:41677) is a sulfone (CHEBI:35850)
Synonyms  Source
N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDEPDBeChem
N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamidePDBeChem
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