(1S,3S,5S)-2-{(2S)-2-Amino-2-[(1R,3R,5R,7S)-3-Hydroxyadamantan-1-Yl]Acetyl}-2-Azabicyclo[3.1.0]Hexane-3-Carbonitrile

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Properties Simple | Detailed

Formula C18H25N3O2
IUPAC Name (1s,3s,5s)-4-[(2s)-2-amino-2-[(5r,7s)-3-hydroxy-1-adamantyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile
Molecular Mass 315.410 g·mol−1
Heat of Formation -226.1 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 387.5 Å 3
Surface Area 299.65 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s,5s)-2-[(2s)-2-amino-2-[(5s,7r)-3-hydroxy-1-adamantyl]-1-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1s,3s,5s)-2-[(2s)-2-amino-2-[(5s,7r)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1s,3s,5s)-2-[(2s)-2-amino-2-[(5s,7r)-3-hydroxy-1-adamantyl]ethanoyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
InChIKey QGJUIPDUBHWZPV-YQBUGCKMSA-N
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