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CAS 64217-62-5

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(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; propane-1,3-diol

Description:
The chemical substance with the name "(6R,7R)-7-[[[2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; propane-1,3-diol" and CAS number "64217-62-5" is a complex organic compound characterized by its bicyclic structure, which includes a thiazolidine ring and a triazole moiety. This compound features multiple functional groups, including an amino group, a carboxylic acid, and a hydroxyl group, contributing to its potential biological activity. The presence of the triazole ring suggests possible applications in medicinal chemistry, particularly as an antimicrobial or antifungal agent. The stereochemistry indicated by the (6R,7R) configuration implies specific spatial arrangements that may influence the compound's interaction with biological targets. Additionally, the inclusion of propane-1,3-diol suggests that the compound may have solubility and stability characteristics that could be advantageous in pharmaceutical formulations. Overall, this compound's intricate structure and functional diversity make it a subject of interest for further research in drug development and therapeutic applications.
Formula:C21H26N6O7S2
InChI:InChI=1/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;4-2-1-3-5/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);4-5H,1-3H2/t12-,13-,17-;/m1./s1
SMILES:c1cc(ccc1[C@H](C(=N[C@@H]1C(=O)N2C(=C(CSc3cnn[nH]3)CS[C@H]12)C(=O)O)O)N)O.C(CO)CO
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