2,5-Dioxo-1-Pyrrolidinyl 3-Iodo-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Tyrosinate

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Properties Simple | Detailed

Formula C18H21IN2O7
IUPAC Name (2,5-dioxopyrrolidin-1-yl) (2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate
Molecular Mass 504.273 g·mol−1
Heat of Formation -1030.2 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 487.41 Å 3
Surface Area 394.83 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2,5-dioxopyrrolidin-1-yl) (2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate
  • (2,5-dioxopyrrolidin-1-yl) (2s)-3-(4-hydroxy-3-iodo-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • (2,5-dioxopyrrolidin-1-yl) (2s)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • (2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid succinimido ester
  • (2s)-2-[(tert-butoxy-oxomethyl)amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
  • boc-itry-nhse
  • carbamic acid, (2-((2,5-dioxo-1-pyrrolidinyl)oxy)-1-((4-hydroxy-3-iodophenyl)methyl)-2-oxoethyl)-, 1,1-dimethylethyl ester, (s)-
  • tertiary-butyloxycarbonyl-l-iodotyrosine-n-hydroxysuccininimide ester
CAS Number(s)
  • 79028-57-2
InChIKey ZSHWOTBCGGDEQO-LBPRGKRZSA-N
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