Chemical Compound

3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-; (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide; Nelfinavir sulfoxide; (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide

CAS Registry Number 1041389-28-9
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3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-; (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide; Nelfinavir sulfoxide; (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide 结构式
Primary record

3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-; (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide; Nelfinavir sulfoxide; (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide

库存
3,395 克
纯度
98.2 %
CAS
1041389-28-9

化合物标识与属性

CAS
1041389-28-9
PubChem CID
71750982
SMILES
CC1=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
Canonical SMILES
Cc1c(O)cccc1C(=O)N[C@@H](CS(=O)c1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

名称与同义词

  • Nelfinavir Sulfoxide
  • Nelfinavir Sulphoxide Impurity
  • 1041389-28-9
  • DTXSID70858171
  • Nelfinavir Sulfoxide Impurity (Impurity B)
  • J2.393.072B
  • (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
  • (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-((2R,3R)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylsulfinyl)butyl)-3-isoquinolinecarboxamide
  • (3S,4aS)-N-(tert-Butyl)-1,2,3,4,4abeta,5,6,7,8,8abeta-decahydro-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-(phenylsulfinyl)butyl]-3alpha-isoquinolinecarboxamide
  • (3S,4aS,8aS)-2-[(2R,3R)-4-(Benzenesulfinyl)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)butyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide
  • (3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfinyl)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]butyl]-N-tert-butyl-decahydroisoquinoline-3-carboxamide
  • (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide
  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-; (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide; Nelfinavir sulfoxide; (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide
  • Nelfinavir Related Compound A (15 mg) ((3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide)