EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41687 - N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE

Default Structure
ChEBI IDCHEBI:41687
ChEBI NameN-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H26F3N3O4S
Net Charge0
Average Mass485.528
Monoisotopic Mass485.15961
SMILES[H]Oc1c([H])c([H])c([C@]([H])(N([H])[C@]([H])(C(=O)N([H])C2(C([H])([H])N([H])[H])C([H])([H])C2([H])[H])C([H])([H])S(=O)(=O)C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C(F)(F)F)c([H])c1[H]
InChIInChI=1S/C22H26F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-14,26H2,(H,28,30)/t18-,19-/m0/s1
InChIKeyDWWVPKCSDHDILN-OALUTQOASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (CHEBI:41687) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamidePDBeChem
N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDEPDBeChem
Manual XrefsDatabases
CRVPDBeChem