Nelfinavir

Molecule SVG Image

Properties Simple | Detailed

Formula C32H45N3O4S
IUPAC Name (2s,3s,4as,8as)-n-tert-butyl-2-[(2r,3r)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide
Molecular Mass 567.782 g·mol−1
Heat of Formation -732.7 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 721.55 Å 3
Surface Area 557.99 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4as,8as)-n-tert-butyl-2-[(2r,3r)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide
  • (3s,4as,8as)-n-tert-butyl-2-[(2r,3r)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide
  • (3s,4as,8as)-n-tert-butyl-2-[(2r,3r)-2-hydroxy-3-[(3-hydroxy-2-methyl-phenyl)carbonylamino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide
  • (3s,4as,8as)-n-tert-butyl-2-[(2r,3r)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide
  • (3s-(2(2s*,3s*),3alpha,4abeta,8abeta))-n-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide
  • 159989-65-8 (mesylate salt)
  • 1un
  • 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
  • 3-isoquinolinecarboxamide, n-(1,1-dimethylethyl)decahydro-2- [(2r,3r)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3s,4as,8as)-
  • 3-isoquinolinecarboxamide, n-(1,1-dimethylethyl)decahydro-2-((2r,3r)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3s,4as,8as)-
  • 3-isoquinolinecarboxamide, n-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3s-(2-(2s*,3s*),3-alpha,4a-beta,8a-beta))-
  • ag1343 (*mesylate salt*)
  • ag1346
  • ks-1089
  • met-sdf-1.beta. & nelfinavir
  • met-stromal cell-derived factor-1.beta. (human) & nelfinavir
  • n-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide (3s-(2(2s*,3s*),3alpha,4abeta,8abeta))-
  • nelfinavir mesylate ag1343
  • nlf
  • viracept (*mesylate salt*)
  • vrx496
CAS Number(s)
  • 159989-64-7
InChIKey QAGYKUNXZHXKMR-HKWSIXNMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N