(1R,2S,2'R,6'S,24A'S)-17'-Fluoro-6'-({[(3S)-1-Methyl-2-Oxo-3-Piperidinyl]Carbonyl}Amino)-19',19'-Dioxido-5',21',24'-Trioxo-2-Vinyl-1',2',3',5',6',7',8',9',10',11',12',13',14',20',21',23',24',24A'-Octadecahydrospiro[Cyclopropane-1,22'-Pyrrolo[2,1-G][1,2,5,8,18]Benzothiatetraazacycloicosin]-2'-Yl 4-Fluoro-1,3-Dihydro-2H-Isoindole-2-Carboxylate

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Properties Simple | Detailed

Formula C42H51F2N7O9S
IUPAC Name (1r,2s,2'r,6's,24a's)-17'-fluoro-6'-({[(3s)-1-methyl-2-oxo-3-piperidinyl]carbonyl}amino)-19',19'-dioxido-5',21',24'-trioxo-2-vinyl-1',2',3',5',6',7',8',9',10',11',12',13',14',20',21',23',24',24a'-octadecahydrospiro[cyclopropane-1,22'-pyrrolo[2,1-g][1,2,5,8,18]benzothiatetraazacycloicosin]-2'-yl 4-fluoro-1,3-dihydro-2h-isoindole-2-carboxylate
Molecular Mass 867.958 g·mol−1
Heat of Formation -1773.0 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 985.58 Å 3
Surface Area 709.44 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey JSGPAIBYTVNGSI-ZBBLQTOUSA-N
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