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| CAS Number | 400827-46-5 |
| Catalog Number | AG00CL5M(AGN-PC-0RLT19) |
| Chemical Name | TAK 599 |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;acetate |
| InChI | InChI=1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4)/b26-13-;/t14-,19-;/m1./s1 |
| InChI Key | UGHHNQFYEVOFIV-VRDMTWHKSA-N |
| MDL Number | MFCD19443689 |
| Molecular Formula | C24H25N8O10PS4 |
| Molecular Weight | 744.7367 |
| SMILES | C(C)(=O)[O-].C(=O)(O)C=1N2C([C@H]([C@H]2SCC1SC=1SC=C(N1)C1=CC=[N+](C=C1)C)NC(\C(\C1=NSC(=N1)NP(=O)(O)O)=N/OCC)=O)=O |
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