N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-Cyclohexyl-4,4-Difluoro-3-Hydroxy-5-(Methylamino)-5-Oxo-2-Pentanyl]Amino}-1-Oxo-2-Hexanyl]Amino}-1-Oxo-3-Phenyl-2-Propanyl]-4-Morpholinecarboxamide

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Properties Simple | Detailed

Formula C32H49F2N5O6
IUPAC Name n-[(1s)-1-benzyl-2-[[(1s)-1-[[(1s,2r)-1-(cyclohexylmethyl)-3,3-difluoro-2-hydroxy-4-(methylamino)-4-oxo-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]morpholine-4-carboxamide
Molecular Mass 637.758 g·mol−1
Heat of Formation -1657.9 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 790.17 Å 3
Surface Area 626.6 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-(benzyl)-2-[[(1s)-1-[[(1s,2r)-1-(cyclohexylmethyl)-3,3-difluoro-2-hydroxy-4-keto-4-methylamino-butyl]carbamoyl]pentyl]amino]-2-keto-ethyl]morpholine-4-carboxamide
  • n-[(1s)-2-[[(1s)-1-[[(1s,2r)-1-(cyclohexylmethyl)-3,3-difluoro-2-hydroxy-4-methylamino-4-oxo-butyl]carbamoyl]pentyl]amino]-2-oxo-1-(phenylmethyl)ethyl]morpholine-4-carboxamide
  • n-[(1s)-2-[[(1s)-1-[[[(1s,2r)-1-(cyclohexylmethyl)-3,3-difluoro-2-hydroxy-4-methylamino-4-oxobutyl]amino]-oxomethyl]pentyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-4-morpholinecarboxamide
  • n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-methylamino-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
  • n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-methylamino-5-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
InChIKey ZUBYZUAWOJPWQU-YIPNQBBMSA-N
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