EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39623 - N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide

ChEBI IDCHEBI:39623
ChEBI NameN-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
Stars
ASCII NameN-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC33H43N3O4S
Net Charge0
Average Mass577.791
Monoisotopic Mass577.29743
SMILES[H]c1c([H])c([H])c(C([H])([H])N(C(=O)C([H])([H])Oc2c(C([H])([H])[H])c([H])c([H])c([H])c2C([H])([H])[H])C([H])([H])[C@@]2([H])C([H])([H])N([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/t29-,30-/m1/s1
InChIKeyMQRMHPRUUKDEKO-LOYHVIPDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide (CHEBI:39623) is a monocarboxylic acid amide (CHEBI:29347)
N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide (CHEBI:39623) is a pyrrolidines (CHEBI:38260)
N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide (CHEBI:39623) is a sulfonamide (CHEBI:35358)
Synonyms  Source
N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDEPDBeChem
N-benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[(2-methylpropyl)(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl]methyl}acetamidePDBeChem
Manual XrefsDatabases
189PDBeChem