N-[(2S)-4-Methyl-1-Oxo-1-{[(4S)-3-Oxo-1-{[3-(2-Pyridinyl)Phenyl]Acetyl}-4-Azepanyl]Amino}-2-Pentanyl]-5-[2-(4-Morpholinyl)Ethoxy]-1-Benzofuran-2-Carboxamide

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Properties Simple | Detailed

Formula C40H47N5O7
IUPAC Name n-[(1s)-3-methyl-1-[[(4s)-3-oxo-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]carbamoyl]butyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide
Molecular Mass 709.830 g·mol−1
Heat of Formation -818.4 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 854.25 Å 3
Surface Area 714.96 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
  • n-[(1s)-1-[[(4s)-3-keto-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]carbamoyl]-3-methyl-butyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide
  • n-[(1s)-3-methyl-1-[[(4s)-3-oxo-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]carbamoyl]butyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide
  • n-[(1s)-3-methyl-1-[oxo-[[(4s)-3-oxo-1-[1-oxo-2-[3-(2-pyridyl)phenyl]ethyl]-4-azepanyl]amino]methyl]butyl]-5-(2-morpholinoethoxy)-2-benzofurancarboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(4s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]amino]pentan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(4s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepan-4-yl]amino]pentan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
InChIKey KRMYDWCAHQJBOD-HEVIKAOCSA-N
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