Products 1041389-28-9

CAS 1041389-28-9 appears in our catalog under these names: Nelfinavir Sulfoxide Impurity (Impurity B), Nelfinavir Sulfoxide. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 250mg.

Nelfinavir Sulfoxide Impurity (Impurity B)
Chemat Brand
  • size: on request
  • Variants: 1
View product
Nelfinavir Sulfoxide
TRC
  • size: 250mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfinyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide (CAS 1041389-28-9) is a chemical compound with the molecular formula C32H45N3O5S and a molecular weight of 583.8 g/mol. IUPAC name: (3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfinyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide. InChIKey: RSOLVRGGAAUFHC-VSAYVLMCSA-N.

Identity
Molecular formulaC32H45N3O5S
Molecular weight583.8 g/mol
IUPAC name(3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfinyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
InChIKeyRSOLVRGGAAUFHC-VSAYVLMCSA-N
SMILESCC1=C(C=CC=C1O)C(=O)N[C@@H](CS(=O)C2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: Nelfinavir Sulfoxide, Nelfinavir sulfoxide, >98%
Isomers (same molecular formula)
(3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-N-(1-hydroxy-2-methylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide C32H45N3O5S