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CHEBI:117000 - 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:117000
ChEBI Name2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC19H25N3O4S2
Net Charge0
Average Mass423.560
Monoisotopic Mass423.12865
SMILESCOC(=O)c1c(NC(=O)CC2SC(N)=NC2=O)sc2c1CCC(C(C)(C)C)C2
InChIInChI=1S/C19H25N3O4S2/c1-19(2,3)9-5-6-10-11(7-9)27-16(14(10)17(25)26-4)21-13(23)8-12-15(24)22-18(20)28-12/h9,12H,5-8H2,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyNBJBGYVZDDHBBX-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-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:117000) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-28448LINCS