2-{3-[(Benzylsulfonyl)Amino]-6-Methyl-2-Oxo-1(2H)-Pyridinyl}-N-[(4-Methyl-1-{2-[(2-Methyl-2-Propanyl)Amino]-2-Oxoethyl}-1H-Imidazol-5-Yl)Methyl]Acetamide

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Properties Simple | Detailed

Formula C26H34N6O5S+
IUPAC Name 2-[5-[[[2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridyl]acetyl]amino]methyl]-4-methyl-imidazol-1-yl]-n-tert-butyl-acetamide
Molecular Mass 542.650 g·mol−1
Heat of Formation -701.0 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 640.13 Å 3
Surface Area 540.48 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-[[[2-[3-(benzylsulfonylamino)-2-keto-6-methyl-1-pyridyl]acetyl]amino]methyl]-4-methyl-imidazol-1-yl]-n-tert-butyl-acetamide
  • n-tert-butyl-2-[4-methyl-5-[[2-[6-methyl-2-oxo-3-(phenylmethylsulfonylamino)pyridin-1-yl]ethanoylamino]methyl]imidazol-1-yl]ethanamide
  • n-tert-butyl-2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(phenylmethylsulfonylamino)-1-pyridyl]-1-oxoethyl]amino]methyl]-1-imidazolyl]acetamide
  • n-tert-butyl-2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(phenylmethylsulfonylamino)-1-pyridyl]acetyl]amino]methyl]imidazol-1-yl]acetamide
InChIKey JIBFIIUWYBXSQB-UHFFFAOYSA-N
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