N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diazabicyclo[11.2.2]Heptadeca-1(15),13,16-Trien-11-Yl]Ethyl}-N-(3-Methylbutyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C30H43N3O6S
IUPAC Name n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]ethyl]-n-isopentyl-benzenesulfonamide
Molecular Mass 573.744 g·mol−1
Heat of Formation -1148.0 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 692.21 Å 3
Surface Area 478.24 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-{(1r)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}(3s,6s)-4,7-diaza-6-(methylethyl)-12-oxabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
  • n-[(2r)-2-[(3s,6s)-5,8-dioxo-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxy-ethyl]-n-(3-methylbutyl)benzenesulfonamide
  • n-[(2r)-2-[(3s,6s)-5,8-dioxo-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxyethyl]-n-(3-methylbutyl)benzenesulfonamide
  • n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-diketo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]ethyl]-n-isoamyl-benzenesulfonamide
  • n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]ethyl]-n-isopentyl-benzenesulfonamide
  • n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]ethyl]-n-isopentylbenzenesulfonamide
  • n-[2-hydroxy-2-(8-isopropyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-ethyl]-n-(3-methyl-butyl)-benzenesulfonamide, inhibitor 3
  • n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide
InChIKey WRUVOSYKHXGAQN-GKRYNVPLSA-N
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