CHEBI:131500 - (3R,4S)-BW 245C

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ChEBI Name (3R,4S)-BW 245C
ChEBI ID CHEBI:131500
ChEBI ASCII Name (3R,4S)-BW 245C
Definition A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H32N2O5
Net Charge 0
Average Mass 368.469
Monoisotopic Mass 368.23112
InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1
InChIKey ZIDQIOZJEJFMOH-JKSUJKDBSA-N
SMILES C(CN1C(NC([C@@H]1CCCCCCC(O)=O)=O)=O)[C@H](C2CCCCC2)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3R,4S)-BW 245C (CHEBI:131500) is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502)
(3R,4S)-BW 245C (CHEBI:131500) is enantiomer of (3S,4R)-BW 245C (CHEBI:131501)
Incoming BW 245C (CHEBI:131496) has part (3R,4S)-BW 245C (CHEBI:131500)
(3S,4R)-BW 245C (CHEBI:131501) is enantiomer of (3R,4S)-BW 245C (CHEBI:131500)
IUPAC Name
7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid
Synonym Source
(R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid ChemIDplus
Registry Numbers Types Sources
72880-75-2 CAS Registry Number ChemIDplus
964619 Reaxys Registry Number Reaxys
Last Modified
08 March 2016