CHEBI:91197 - (R)-KI16425

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ChEBI Name (R)-KI16425
ChEBI ID CHEBI:91197
ChEBI ASCII Name (R)-KI16425
Definition A 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (R)-enantiomer of KI16425.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H23ClN2O5S
Net Charge 0
Average Mass 474.959
Monoisotopic Mass 474.10162
InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)/t15-/m1/s1
InChIKey LLIFMNUXGDHTRO-OAHLLOKOSA-N
SMILES N(C(=O)O[C@H](C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C
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 (R)-KI16425 (CHEBI:91197) is a 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid (CHEBI:91194)
(R)-KI16425 (CHEBI:91197) is enantiomer of (S)-KI16425 (CHEBI:91195)
Incoming KI16425 (CHEBI:91192) has part (R)-KI16425 (CHEBI:91197)
(S)-KI16425 (CHEBI:91195) is enantiomer of (R)-KI16425 (CHEBI:91197)
IUPAC Name
3-[({4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
Registry Number Type Source
22835198 Reaxys Registry Number Reaxys
Last Modified
15 February 2016