N,N'-2-Hydroxy-1,4-bis(phenylmethyl)-2,6-dimethylphenoxy)acetamide - CAS 667904-94-1

Catalog: BB064144
Product Name: N,N'-2-Hydroxy-1,4-bis(phenylmethyl)-2,6-dimethylphenoxy)acetamide
CAS: 667904-94-1
Synonyms: N,N'-[(1S,2S,4S)-2-Hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl]bis[2-(2,6-dimethylphenoxy)acetamide];TS 97
N,N'-2-Hydroxy-1,4-bis(phenylmethyl)-2,6-dimethylphenoxy)acetamide
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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