(3S)-1-[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoyl]-4,4-Dimethyl-3-Pyrrolidinyl [(2S,3S)-2-Hydroxy-1-Oxo-1-{[(1R)-1-Phenylethyl]Amino}-3-Heptanyl]Carbamate

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Properties Simple | Detailed

Formula C28H41N5O6
IUPAC Name [(3s)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethyl-pyrrolidin-3-yl] n-[(1s)-1-[(1s)-1-hydroxy-2-oxo-2-[[(1r)-1-phenylethyl]amino]ethyl]pentyl]carbamate
Molecular Mass 543.655 g·mol−1
Heat of Formation -967.3 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 677.28 Å 3
Surface Area 570.83 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate
  • [(3s)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-pyrrolidin-3-yl] n-[(2s,3s)-2-hydroxy-1-oxo-1-[[(1r)-1-phenylethyl]amino]heptan-3-yl]carbamate
  • [(3s)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethylpyrrolidin-3-yl] n-[(2s,3s)-2-hydroxy-1-oxo-1-[[(1r)-1-phenylethyl]amino]heptan-3-yl]carbamate
  • [(3s)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethyl-pyrrolidin-3-yl] n-[(1s)-1-[(1s)-1-hydroxy-2-oxo-2-[[(1r)-1-phenylethyl]amino]ethyl]pentyl]carbamate
  • n-[(1s)-1-[(1s)-1-hydroxy-2-keto-2-[[(1r)-1-phenylethyl]amino]ethyl]pentyl]carbamic acid [(3s)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethyl-pyrrolidin-3-yl] ester
  • n-[(1s)-1-[(1s)-1-hydroxy-2-oxo-2-[[(1r)-1-phenylethyl]amino]ethyl]pentyl]carbamic acid [(3s)-1-[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-4,4-dimethyl-3-pyrrolidinyl] ester
InChIKey VVZICJQTDYOKIN-TYVKFHQSSA-N
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