EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40161 - N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide

ChEBI IDCHEBI:40161
ChEBI NameN-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide
Stars
ASCII NameN-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide
Last Modified8 October 2007
DownloadsMolfile
FormulaC19H33N3O4S
Net Charge0
Average Mass399.557
Monoisotopic Mass399.21918
SMILES[H]C(=O)[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])N(C(=O)/C([H])=C(\[H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@@]1([H])N([H])S(=O)(=O)C([H])([H])[H]
InChIInChI=1S/C19H33N3O4S/c1-15(2)16(14-23)19-17(20-27(3,25)26)9-13-22(19)18(24)8-7-12-21-10-5-4-6-11-21/h7-8,14-17,19-20H,4-6,9-13H2,1-3H3/b8-7+/t16-,17+,19-/m0/s1
InChIKeyBSBJWRKWANAVRQ-POTLKAILSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide (CHEBI:40161) is a N-acylpyrrolidine (CHEBI:46766)
N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide (CHEBI:40161) is a piperidines (CHEBI:26151)
N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide (CHEBI:40161) is a sulfonamide (CHEBI:35358)
Synonyms  Source
N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamidePDBeChem
N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4-PIPERIDIN-1-YL-BUT-2-ENOYL)-PYRROLIDIN-3-YL]-METHANESULFONAMIDEPDBeChem
Manual XrefsDatabases
616PDBeChem