(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

CAS: 136522-17-3

Ref. TR-A611580

Product Information

• Name: (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
• Synonyms: 3-Isoquinolinecarboxamide, 2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-, 3-Isoquinolinecarboxamide, 2-(3-amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, [3S-[2(2S*,3R*),3a,4aß,8aß]]-, Saquinavir Mesilate Imp. C (EP), Saquinavir Impurity C (EP), [3S-[2(2S*,3R*),3a,4aß,8aß]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

Description

Applications (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide is an intermediate in the synthesis of Saquinavir (S135000).
References Greenwood, B., et al.: Lancet, 365, 1487 (2005), Andrews, K., et al.: Antimicrob. Agents Chemother., 50, 639 (2006), Ersmark, K., et al.: Bioorg. Med. Chem., 14, 2197 (2006),

• Brand: TRC

Chemical properties

• Molecular weight: 401.58
• Formula: C₂₄H₃₉N₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19+,20-,21-,22+/m0/s1
• InChI key: InChIKey=YJRJYYPXNAHNMD-LILSUDLASA-N
• SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1