Benzyl N~2~-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Asparaginyl-L-Prolinate

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Properties Simple | Detailed

Formula C21H29N3O6
IUPAC Name benzyl (2s)-1-[(2s)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]pyrrolidine-2-carboxylate
Molecular Mass 419.471 g·mol−1
Heat of Formation -1096.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 515.06 Å 3
Surface Area 440.64 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-4-amino-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]pyrrolidine-2-carboxylic acid benzyl ester
  • (2s)-1-[(2s)-4-amino-2-[(tert-butoxy-oxomethyl)amino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid phenylmethyl ester
  • boc-apobzl
  • boc-l-asn-l-pro-obzl
  • l-proline, 1-(n2-((1,1-dimethylethoxy)carbonyl)-l-asparaginyl)-, phenylmethyl ester
  • phenylmethyl (2s)-1-[(2s)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]pyrrolidine-2-carboxylate
  • phenylmethyl (2s)-1-[(2s)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxylate
  • phenylmethyl (2s)-1-[(2s)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxylate
  • t-butyloxycarbonyl-asparaginylproline benzyl ester
CAS Number(s)
  • 35930-84-8
InChIKey RUWTZERCBURAOJ-HOTGVXAUSA-N
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