N-(4-{[(2S)-1-Hydroxy-3-Phenyl-2-Propanyl]Amino}-4-Oxobutyl)-N-Methyl-L-Tyrosinamide

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Properties Simple | Detailed

Formula C23H31N3O4
IUPAC Name 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-n-[(1s)-1-benzyl-2-hydroxy-ethyl]butanamide
Molecular Mass 413.510 g·mol−1
Heat of Formation -710.3 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 509.16 Å 3
Surface Area 352.43 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-methylamino]-n-[(1s)-1-(hydroxymethyl)-2-phenylethyl]butanamide
  • 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-n-[(1s)-1-(benzyl)-2-hydroxy-ethyl]butyramide
  • 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-n-[(1s)-1-(hydroxymethyl)-2-phenyl-ethyl]butanamide
  • 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-n-[(2s)-1-hydroxy-3-phenyl-propan-2-yl]butanamide
  • 4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]butanamide
  • benzenepropanamide, alpha-amino-4-hydroxy-n-(4-((1-(hydroxymethyl)-2-phenylethyl)amino)-4-oxobutyl)-n-methyl-, (s-(r*,r*))-
  • kk 3
  • kk-3
  • tyr-n-methy-gab-phe-oh
  • tyrosyl-n-methyl-gamma-aminobutylyl-phenylalaninol
CAS Number(s)
  • 99803-32-4
InChIKey NYWBUISAOGPARC-FPOVZHCZSA-N
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