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CHEBI:121193 - (2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester

ChEBI IDCHEBI:121193
ChEBI Name(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester
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FormulaC18H21Cl2N3O3S
Net Charge0
Average Mass430.357
Monoisotopic Mass429.06807
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H21Cl2N3O3S/c1-18(2,3)26-17(24)23-8-4-5-14(23)15-21-22-16(25-15)27-10-11-6-7-12(19)9-13(11)20/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m0/s1
InChIKeyJDZKHMFWSIVDHP-AWEZNQCLSA-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)
(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester (CHEBI:121193) is a carboxylic acid (CHEBI:33575)
(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester (CHEBI:121193) is a pyrrolidinecarboxylic acid (CHEBI:46767)
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