Relacatib

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Formula C27H32N4O6S
IUPAC Name n-[(1s)-3-methyl-1-[[(1s,4s,7r)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide
Molecular Mass 540.631 g·mol−1
Heat of Formation -736.6 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 625.6 Å 3
Surface Area 519.69 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • d06634
  • gsk-462795
  • n-[(1s)-1-[[(4s,7r)-3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide
  • n-[(1s)-3-methyl-1-[[(4s,7r)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide
  • n-[(1s)-3-methyl-1-[[[(4s,7r)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)-4-azepanyl]amino]-oxomethyl]butyl]-2-benzofurancarboxamide
  • n-[(2s)-4-methyl-1-[[(4s,7r)-7-methyl-3-oxo-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxo-pentan-2-yl]-1-benzofuran-2-carboxamide
  • n-[(2s)-4-methyl-1-[[(4s,7r)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
  • relacatib (usan)
  • sb-462795
CAS Number(s)
  • 362505-84-8
InChIKey BWYBBMQLUKXECQ-GIVPXCGWSA-N
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