EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129381 - 1-[(2S,3R)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone

ChEBI IDCHEBI:129381
ChEBI Name1-[(2S,3R)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
Stars
DownloadsMolfile
FormulaC25H29FN2O2
Net Charge0
Average Mass408.517
Monoisotopic Mass408.22131
SMILESCCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CC1
InChIInChI=1S/C25H29FN2O2/c1-2-23(30)27-15-25(16-27)24(22(14-29)28(25)13-17-6-7-17)19-10-8-18(9-11-19)20-4-3-5-21(26)12-20/h3-5,8-12,17,22,24,29H,2,6-7,13-16H2,1H3/t22-,24-/m1/s1
InChIKeyMMVJOWJTRVCHLX-ISKFKSNPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone (CHEBI:129381) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-40932LINCS