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CAS 711598-76-4

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(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-thioxo-tetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description:
The chemical substance with the name "(6R,7R)-7-[[[2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-thioxo-tetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" and CAS number "711598-76-4" is a complex organic compound characterized by its bicyclic structure, which includes a thiazolidine ring and a tetrazole moiety. This compound exhibits multiple functional groups, including amides, carboxylic acids, and ketones, contributing to its potential biological activity. The presence of a hydroxyphenyl group suggests possible interactions with biological targets, while the thioxo-tetrazole component may enhance its pharmacological properties. The stereochemistry indicated by the (6R,7R) and (2R) designations implies specific spatial arrangements that can influence the compound's reactivity and interactions with enzymes or receptors. Overall, this substance may have applications in medicinal chemistry, particularly in the development of novel therapeutic agents, although further studies would be necessary to elucidate its specific biological effects and mechanisms of action.
Formula:C25H27N9O8S2
InChI:InChI=1/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
SMILES:CCN1CCN(C(=O)C1=O)C(=N[C@H](c1ccc(cc1)O)C(=N[C@@H]1C(=O)N2C(=C(Cn3c(=S)n(C)nn3)CS[C@H]12)C(=O)O)O)O
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