tert-Butyl ((2S,4S,5S)-4-Hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate

CAS: 869368-49-0

Ref. TR-B812340

Product Information

• Name: tert-Butyl ((2S,4S,5S)-4-Hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate

Description

Applications tert-Butyl ((2S,4S,5S)-4-Hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate is an intermediate in the synthesis of 4-Dehydroxy-5-hydroxy Ritonavir (D230645), an impurity of the selective HIV protease inhibitor Ritonavir (R535000).
References Kempf, D.J. et al.: J. Med. Chem., 41, 602 (1998); Mekapati, S.B. et al.: J. Enzyme Inhib., 16, 185 (2001);

• Brand: TRC

Chemical properties

• Molecular weight: 679.91
• Formula: C₃₇H₅₃N₅O₅S
• Color/Form: Off-White Solid
• InChI: InChI=1S/C37H53N5O5S/c1-24(2)32(41-35(45)42(8)22-29-23-48-34(38-29)25(3)4)33(44)40-30(20-27-17-13-10-14-18-27)31(43)21-28(19-26-15-11-9-12-16-26)39-36(46)47-37(5,6)7/h9-18,23-25,28,30-32,43H,19-22H2,1-8H3,(H,39,46)(H,40,44)(H,41,45)/t28-,30-,31-,32-/m0/s1
• InChI key: InChIKey=KDOFUXWRTWYHND-MCEBTLFFSA-N
• SMILES: CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)cs1