Methyl 2-Methylalanyl-N-(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alanyl)-L-Alaninate

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Properties Simple | Detailed

Formula C16H29N3O6
IUPAC Name methyl (2s)-2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate
Molecular Mass 359.418 g·mol−1
Heat of Formation -1265.4 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 447.5 Å 3
Surface Area 355.41 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2-amino-2-methyl-1-oxopropyl)-[(2s)-2-[(tert-butoxy-oxomethyl)amino]-1-oxopropyl]amino]propanoic acid methyl ester
  • (2s)-2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-(tert-butoxycarbonylamino)propanoyl]amino]propionic acid methyl ester
  • baaaome
  • boc-ala-aib-ala-ome
  • methyl (2s)-2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate
  • methyl (2s)-2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
  • methyl (2s)-2-[(2-amino-2-methylpropanoyl)-[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
  • tert-butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester
CAS Number(s)
  • 72086-86-3
InChIKey OTKJKZBLJMXFIO-UWVGGRQHSA-N
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