(2R,6S,12Z,13As,14Ar,16As)-14A-{[(Cyclopropylsulfonyl)Amino]Methyl}-6-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-5,16-Dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-Hexadecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecin-2-Yl 4-Fluoro-1,3-Dihydro-2H-Isoindole-2-Carboxylate

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Formula C35H48FN5O8S
IUPAC Name [(1s,4r,6s,7z,14s,18r)-14-(tert-butoxycarbonylamino)-4-[(cyclopropylsulfonylamino)methyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoroisoindoline-2-carboxylate
Molecular Mass 717.848 g·mol−1
Heat of Formation -1431.0 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 853.57 Å 3
Surface Area 651.22 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey NLLUOMDMSMVXKN-UIOHFMAFSA-N
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