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CHEBI:90391 - (1S,2S,5R)-AH23848

ChEBI IDCHEBI:90391
ChEBI Name(1S,2S,5R)-AH23848
Stars
ASCII Name(1S,2S,5R)-AH23848
DefinitionA (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have S-, S- and R-configuration respectively.
Last Modified16 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC29H35NO5
Net Charge0
Average Mass477.601
Monoisotopic Mass477.25152
SMILESO=C(O)CC/C=C\CC[C@H]1[C@H](N2CCOCC2)C(=O)C[C@H]1OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m1/s1
InChIKeyIOFUFYLETVNNRF-FKQKSGFWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,5R)-AH23848 (CHEBI:90391) is a (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid (CHEBI:90393)
(1S,2S,5R)-AH23848 (CHEBI:90391) is conjugate acid of (1S,2S,5R)-AH23848(1−) (CHEBI:90395)
(1S,2S,5R)-AH23848 (CHEBI:90391) is enantiomer of (1R,2R,5S)-AH23848 (CHEBI:90389)
Incoming Relation(s)
AH23848 (CHEBI:90388) has part (1S,2S,5R)-AH23848 (CHEBI:90391)
(1S,2S,5R)-AH23848(1−) (CHEBI:90395) is conjugate base of (1S,2S,5R)-AH23848 (CHEBI:90391)
(1R,2R,5S)-AH23848 (CHEBI:90389) is enantiomer of (1S,2S,5R)-AH23848 (CHEBI:90391)
IUPAC Name 
(4Z)-7-[(1S,2S,5R)-5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl]hept-4-enoic acid
Registry NumbersSources
Reaxys:24197846Reaxys