EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47062 - N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE

Default Structure
ChEBI IDCHEBI:47062
ChEBI NameN-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC31H37BrFNO5S
Net Charge0
Average Mass634.608
Monoisotopic Mass633.15598
SMILES[H]O[C@]([H])(C([H])([H])[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)c1c([H])c([H])c(F)c([H])c1[H])[C@@]([H])(N([H])C(=O)C([H])([H])Oc1c(C([H])([H])[H])c([H])c([H])c([H])c1C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c(Br)c1[H]
InChIInChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1
InChIKeyRVHWPGAHEOLZNT-YTCPBCGMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE (CHEBI:47062) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDEPDBeChem
N-{(1S,2R,4S)-1-(3-bromobenzyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl}-2-(2,6-dimethylphenoxy)acetamidePDBeChem
Manual XrefsDatabases
190PDBeChem