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CHEBI:49428 - (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE

Default Structure
ChEBI IDCHEBI:49428
ChEBI Name(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H31FN6O2
Net Charge0
Average Mass430.528
Monoisotopic Mass430.24925
SMILES[H]c1nc2c([H])c([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@]([H])(F)C4([H])[H])N([H])[H])C([H])([H])C3([H])[H])n2n1
InChIInChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1
InChIKeyZPWDKZWKUOYOHA-UKSSEWCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE (CHEBI:49428) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcyclohexyl)butanamidePDBeChem
(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDEPDBeChem
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