N~2~-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Lysyl-D-Alanyl-D-Alanine

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Properties Simple | Detailed

Formula C17H32N4O6
IUPAC Name (2r)-2-[[(2r)-2-[[(2s)-6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 388.459 g·mol−1
Heat of Formation -1318.6 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 500.2 Å 3
Surface Area 430.62 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-[[(2s)-6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]propanoic acid
  • (2r)-2-[[(2r)-2-[[(2s)-6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]propionic acid
  • (2r)-2-[[(2r)-2-[[(2s)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid
  • (2r)-2-[[(2r)-2-[[(2s)-6-amino-2-[(tert-butoxy-oxomethyl)amino]-1-oxohexyl]amino]-1-oxopropyl]amino]propanoic acid
  • d-alanine, n-(n-(n2-((1,1-dimethylethoxy)carbonyl)-l-lysyl)-d-alanyl)-
  • t-boc-lys-ala-ala
  • tert-butyloxycarbonyl-lysyl-alanyl-alanine
CAS Number(s)
  • 67223-73-8
InChIKey YQYPUXOSVICIIR-UTUOFQBUSA-N
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