[(17Z,25S,26R,27S,28S,34R)-25-(Tert-Butoxycarbonylamino)-34-(Cyclopropylsulfonylcarbamoyl)-29,30-Dioxo-36,39-Diazatricyclo[Blah.Blah.Blah.Blah]Nonadec-17-En-26-Yl] 22-Fluoroisoindole-2-Carboxylate

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Formula C35H44FN5O9S
IUPAC Name [(17z,25s,26r,27s,28s,34r)-25-(tert-butoxycarbonylamino)-34-(cyclopropylsulfonylcarbamoyl)-29,30-dioxo-36,39-diazatricyclo[blah.blah.blah.blah]nonadec-17-en-26-yl] 22-fluoroisoindole-2-carboxylate
Molecular Mass 729.815 g·mol−1
Heat of Formation -1542.5 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 863.49 Å 3
Surface Area 606.42 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey YUWURHBDLJOUAP-JSZLBQEHSA-N
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