Products 159878-04-3

CAS 159878-04-3 is the registry number for (3S-(3S,4aS,8aS,2’R,3’R))-2-(3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio)butyldecahydroisoquinoline-3-N-t-butylcarboxamide. Offered by: TRC. Available pack sizes: 1mg.

(3S-(3S,4aS,8aS,2’R,3’R))-2-(3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio)butyldecahydroisoquinoline-3-N-t-butylcarboxamide
TRC
  • size: 1mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Benzyl N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate (CAS 159878-04-3) is a chemical compound with the molecular formula C32H45N3O4S and a molecular weight of 567.8 g/mol. IUPAC name: benzyl N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate. InChIKey: CADGDESSNWSRRZ-RIVMDFSBSA-N.

Identity
Molecular formulaC32H45N3O4S
Molecular weight567.8 g/mol
IUPAC namebenzyl N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
InChIKeyCADGDESSNWSRRZ-RIVMDFSBSA-N
SMILESCC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

Computed by PubChem (NCBI)

Synonyms: Nelfinavir O-Benzyl
Isomers (same molecular formula)
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide C32H45N3O4S
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[3-hydroxy-2-(trideuteriomethyl)benzoyl]amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide C32H45N3O4S