CHEBI:280152 - LY-221481

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ChEBI Name LY-221481 ChEBI ID CHEBI:280152 Definition A pyrazolopyrazole that is 6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid which has been substituted at positions 2, 5 and 6 by methylsulfonyl, oxo, and amino groups, respectively, and in which the amino group has been condensed with the carboxy group of (2-amino-1,3-thiazol-4-yl)(oxo)acetic acid, the oxo group of which has been converted to the corresponding oxime O-allyl ether. Stars This entity has been manually annotated by the ChEBI Team. 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 C16H18N6O7S2 Net Charge 0 Average Mass 470.48000 Monoisotopic Mass 470.06784 InChI InChI=1S/C16H18N6O7S2/c1-3-4-29-20-11(9-7-30-16(17)19-9)13(23)18-8-5-21-6-10(31(2,27)28)12(15(25)26)22(21)14(8)24/h3,7-8H,1,4-6H2,2H3,(H2,17,19)(H,18,23)(H,25,26)/b20-11-/t8-/m0/s1 InChIKey RIAHBYYSGWWUKY-JGPPEUEWSA-N SMILES CS(=O)(=O)C1=C(N2N(C[C@H](NC(=O)C(=N/OCC=C)\c3csc(N)n3)C2=O)C1)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) 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 LY-221481 (CHEBI:280152) is a 1,3-thiazoles (CHEBI:38418) LY-221481 (CHEBI:280152) is a amino acid (CHEBI:33709) LY-221481 (CHEBI:280152) is a monocarboxylic acid amide (CHEBI:29347) LY-221481 (CHEBI:280152) is a oxime O-ether (CHEBI:36816) LY-221481 (CHEBI:280152) is a pyrazolopyrazole (CHEBI:62826) LY-221481 (CHEBI:280152) is a sulfone (CHEBI:35850) IUPAC Name (6S)-6-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(prop-2-en-1-yloxy)imino]acetyl}amino)-2-(methylsulfonyl)-5-oxo-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid Synonyms Sources (S)-6-[2-[(Z)-allyloxyimino]-2-(2-aminothiazol-4-yl)-acetylamino]-2-methanesulfonyl-7-oxo-6,7-dihydro-3H,5H-pyrazolo[1,2-a]pyrazole-1-carboxylic acid ChEBI LY-221481 ChEMBL LY221481 ChEBI Registry Numbers Types Sources 6674867 Beilstein Registry Number Beilstein 6674867 Reaxys Registry Number Reaxys Citation Type Source 8230112 PubMed citation ChEMBL Last Modified 06 March 2014