Products 127779-20-8

CAS 127779-20-8 appears in our catalog under these names: Saquinavir, 95%, Saquinavir, 98%, Saquinavir, >95% (HPLC), Saquinavir/ 99.5% (existing batch purity), Saquinavir. Offered by: Combi-blocks, AmBeed, TRC, TargetMol, GLPBio. Available pack sizes: 250mg, 5g, 1g, 25mg, 10mg, 500mg, 5mg, 50mg.

Structural formula: {0} (CAS {1})

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 formulaC38H50N6O5
Molecular weight670.8 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
InChIKeyQWAXKHKRTORLEM-UGJKXSETSA-N
SMILESCC(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)