(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide, 98%, 98%

cas: 127779-20-8 — see every product listed under this CAS number, including other names

(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide, 98%, 98% (CAS 127779-20-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 100mg, 250mg, 1g. Offered by: Chemat.

• 2D
• 3D

Saquinavir is an aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N2(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. It has a role as a HIV protease inhibitor and an antiviral drug. It is a member of quinolines and a L-asparagine derivative.

Source: ChEBI

Identity

Molecular formula	C38H50N6O5
Molecular weight	670.8 g/mol
IUPAC name	(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
InChIKey	QWAXKHKRTORLEM-UGJKXSETSA-N
SMILES	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Computed by PubChem (NCBI)

Synonyms: SAQUINAVIR, Fortovase, Saquinavirum, Ro 31-8959/000, Ro-31-8959/000, Saquinivir, saquinaviri mesilas, Monomethanesulfonate, Saquinavir, Invirase, Ro-31-8959