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CHEBI:104934 - 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester

ChEBI IDCHEBI:104934
ChEBI Name2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
Stars
DownloadsMolfile
FormulaC14H14F3N3O5S2
Net Charge0
Average Mass425.410
Monoisotopic Mass425.03270
SMILESCOC(=O)C(NC(C)=O)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F
InChIInChI=1S/C14H14F3N3O5S2/c1-7(21)19-13(11(22)25-2,14(15,16)17)20-12-18-9-5-4-8(27(3,23)24)6-10(9)26-12/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKeyHWCLMJPDYGVVLV-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-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester (CHEBI:104934) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-16297LINCS