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CHEBI:49420 - (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE

Default Structure
ChEBI IDCHEBI:49420
ChEBI Name(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H30F2N6O2
Net Charge0
Average Mass448.518
Monoisotopic Mass448.23983
SMILES[H]c1nc2c([H])c([H])c([C@]3([H])C([H])([H])C([H])([H])[C@@]([H])([C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C(=O)N4C([H])([H])C([H])([H])C(F)(F)C4([H])[H])N([H])[H])C([H])([H])C3([H])[H])c([H])n2n1
InChIInChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1
InChIKeyJNAZOMVWUGPITI-LNMJFAINSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE (CHEBI:49420) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamidePDBeChem
(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDEPDBeChem
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