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| IUPAC Name: | 2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]acetamide |
| Description: | N,N'-2-Hydroxy-1,4-bis(phenylmethyl)-2,6-dimethylphenoxy)acetamide is a by-product from the synthesis of (αS)-3-[2-(2,6-Dimethylphenoxy)acetyl]-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide (Lopinavir EP Impurity R) (D476505), an impurity of Lopinavir (L469480), a selective HIV protease inhibitor. |
| Molecular Weight: | 608.78 |
| Molecular Formula: | C38H44N2O5 |
| Canonical SMILES: | CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)COC4=C(C=CC=C4C)C)O |
| InChI: | InChI=1S/C38H44N2O5/c1-26-13-11-14-27(2)37(26)44-24-35(42)39-32(21-30-17-7-5-8-18-30)23-34(41)33(22-31-19-9-6-10-20-31)40-36(43)25-45-38-28(3)15-12-16-29(38)4/h5-20,32-34,41H,21-25H2,1-4H3,(H,39,42)(H,40,43)/t32-,33-,34-/m0/s1 |
| InChI Key: | GSGYWFIAIGBFSD-AFEGWXKPSA-N |
| Solubility: | Chloroform; Dichloromethane; DMSO; Ethyl Acetate; Methanol |
| Appearance: | White solid |
| Storage: | Refrigerator (0°C) |
| References: | Chitturi, S.R., et al. J. Pharma. Biomed. Anal., 48, 1430 (2008); Devi, A.S.L., et al. Magnet. Reson. Chem., 45, 424 (2007). |
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