(2S)​-N-​[(1S,​2S,​4S)​-​4-​Amino-​2-​hydroxy-​5-​phenyl-​1-​(phenylmethyl)​pentyl]​-​3-​methyl-​2-​[[[methyl[[2-​(1-​methylethyl)​-​4-​thiazolyl]​methyl]​amino]​carbonyl]​amino]​butanamide

CAS: 869368-50-3

Ref. TR-A635163

Product Information

• Name: (2S)​-N-​[(1S,​2S,​4S)​-​4-​Amino-​2-​hydroxy-​5-​phenyl-​1-​(phenylmethyl)​pentyl]​-​3-​methyl-​2-​[[[methyl[[2-​(1-​methylethyl)​-​4-​thiazolyl]​methyl]​amino]​carbonyl]​amino]​butanamide

Description

Applications (2S)​-N-​[(1S,​2S,​4S)​-​4-​Amino-​2-​hydroxy-​5-​phenyl-​1-​(phenylmethyl)​pentyl]​-​3-​methyl-​2-​[[[methyl[[2-​(1-​methylethyl)​-​4-​thiazolyl]​methyl]​amino]​carbonyl]​amino]​butanamide 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: 579.8
• Formula: C₃₂H₄₅N₅O₃S
• Color/Form: Off-White Solid
• InChI: InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(34-26)22(3)4)30(39)35-27(17-24-14-10-7-11-15-24)28(38)18-25(33)16-23-12-8-6-9-13-23/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,35,39)(H,36,40)/t25-,27-,28+,29+/m1/s1
• InChI key: InChIKey=PDWLNNIMSAADFQ-RXIOLPMVSA-N
• SMILES: CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C[C@H](N)Cc2ccccc2)C(C)C)cs1