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CHEBI:109493 - 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:109493
ChEBI Name2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
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FormulaC18H23N5O3S
Net Charge0
Average Mass389.481
Monoisotopic Mass389.15216
SMILESCCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)
InChIKeyVUFMASCGMANIAG-UHFFFAOYSA-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)
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:109493) is a amidobenzoic acid (CHEBI:48470)
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