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CHEBI:280152 - LY-221481
| Formula | C16H18N6O7S2 |
| Net Charge | 0 |
| Average Mass | 470.489 |
| Monoisotopic Mass | 470.06784 |
| SMILES | C=CCO/N=C(\C(=O)N[C@H]1CN2CC(S(C)(=O)=O)=C(C(=O)O)N2C1=O)c1csc(N)n1 |
| 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 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| LY-221481 | ChEMBL |
| (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 |
| LY221481 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6674867 | Reaxys |
| Citations |
|---|