Methyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalanyl-L-Methioninate

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Properties Simple | Detailed

Formula C20H30N2O5S
IUPAC Name methyl (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate
Molecular Mass 410.528 g·mol−1
Heat of Formation -961.2 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 524.7 Å 3
Surface Area 428.87 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester
  • (2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester
  • methyl (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate
  • methyl (2s)-2-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate
InChIKey STRFQIOAEDHQFM-HOTGVXAUSA-N
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