(2S)-2-Amino-N-[(1S,2S,4R)-7,7-Dimethyl-1-({[4-(2-Methylphenyl)-1-Piperazinyl]Sulfonyl}Methyl)Bicyclo[2.2.1]Hept-2-Yl]-4-(Methylsulfonyl)Butanamide

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Properties Simple | Detailed

Formula C26H42N4O5S2
IUPAC Name (2s)-2-amino-n-[(1s,2s,4r)-7,7-dimethyl-1-[[4-(o-tolyl)piperazin-1-yl]sulfonylmethyl]norbornan-2-yl]-4-methylsulfonyl-butanamide
Molecular Mass 554.765 g·mol−1
Heat of Formation -908.6 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 650.82 Å 3
Surface Area 480.62 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 3.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(1s,2s,4r)-7,7-dimethyl-1-[[4-(2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-2-norbornanyl]-4-methylsulfonylbutanamide
  • (2s)-2-amino-n-[(1s,2s,4r)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]norbornan-2-yl]-4-mesyl-butyramide
  • (2s)-2-amino-n-[(1s,2s,4r)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]norbornan-2-yl]-4-methylsulfonyl-butanamide
  • (2s)-2-amino-n-[(1s,4r,6s)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-6-bicyclo[2.2.1]heptanyl]-4-methylsulfonyl-butanamide
InChIKey MWIASLNTAGRGGA-ZJPWWDJASA-N
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