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CHEBI:91195 - (S)-KI16425

ChEBI IDCHEBI:91195
ChEBI Name(S)-KI16425
Stars
ASCII Name(S)-KI16425
DefinitionA 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (S)-enantiomer of KI16425.
Last Modified15 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC23H23ClN2O5S
Net Charge0
Average Mass474.966
Monoisotopic Mass474.10162
SMILESCc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)O[C@@H](C)c1ccccc1Cl
InChIInChI=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-/m0/s1
InChIKeyLLIFMNUXGDHTRO-HNNXBMFYSA-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)
(S)-KI16425 (CHEBI:91195) 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)
(S)-KI16425 (CHEBI:91195) is enantiomer of (R)-KI16425 (CHEBI:91197)
Incoming Relation(s)
KI16425 (CHEBI:91192) has part (S)-KI16425 (CHEBI:91195)
(R)-KI16425 (CHEBI:91197) is enantiomer of (S)-KI16425 (CHEBI:91195)
IUPAC Name 
3-[({4-[4-({[(1S)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
Registry NumbersSources
Reaxys:22835199Reaxys