2,6-Dimethyl-N-{(2R)-2-[(3-Phenylpropyl)Amino]Propanoyl}-L-Tyrosinamide

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Properties Simple | Detailed

Formula C23H31N3O3
IUPAC Name (2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-n-[(2r)-2-(3-phenylpropylamino)propanoyl]propanamide
Molecular Mass 397.511 g·mol−1
Heat of Formation -532.6 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 510.4 Å 3
Surface Area 388.14 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-n-[(2r)-2-(3-phenylpropylamino)propanoyl]propanamide
  • (2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-n-[(2r)-2-(3-phenylpropylamino)propanoyl]propionamide
  • (2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-n-[(2r)-1-oxo-2-(3-phenylpropylamino)propyl]propanamide
  • (2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-n-[(2r)-2-(3-phenylpropylamino)propanoyl]propanamide
  • 2,6-dimethyl-l-tyrosyl-n-(3-phenylpropyl)-d-alaninamide
  • 2,6-dimethyltyrosyl-n-(3-phenylpropyl)alaninamide
  • d-alaninamide, 2,6-dimethyl-l-tyrosyl-n-(3-phenylpropyl)-
  • sc 39566
  • sc-39566
CAS Number(s)
  • 123689-66-7
InChIKey MXTDWSHESHEEEY-UTKZUKDTSA-N
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