(2S,2'S)-N,N'-[(2S,5S)-3,3-Difluoro-4,4-Dihydroxy-1,6-Diphenyl-2,5-Hexanediyl]Bis(3-Methyl-2-{[Methyl(2-Pyridinylmethyl)Carbamoyl]Amino}Butanamide)

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Properties Simple | Detailed

Formula C44H56F2N8O6
IUPAC Name (2s)-n-[(1s,4s)-1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[(2s)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide
Molecular Mass 830.962 g·mol−1
Heat of Formation -1316.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 1029.31 Å 3
Surface Area 712.61 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,4s)-1-(benzyl)-3,3-difluoro-2,2-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butyramide
  • (2s)-n-[(1s,4s)-3,3-difluoro-2,2-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanamide
  • (2s)-n-[(1s,4s)-3,3-difluoro-2,2-dihydroxy-4-[[(2s)-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]butanamide
  • (2s)-n-[(2s,5s)-4,4-difluoro-3,3-dihydroxy-5-[[(2s)-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanamide
  • n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
InChIKey CGJKKYBHEOTRNM-ZQWQDMLBSA-N
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