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

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ChEBI Name 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester ChEBI ID CHEBI:104934 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H14F3N3O5S2 Net Charge 0 Average Mass 425.406 Monoisotopic Mass 425.03270 InChI InChI=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) InChIKey HWCLMJPDYGVVLV-UHFFFAOYSA-N SMILES CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database LSM-16297 LINCS View more database links