(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
Properties
| Property | Value |
|---|---|
| Formula | C42H51F2N7O9S |
| IUPAC Name | [(2's,5r,8s,10r,14s)-26-fluoro-14-[[(3s)-1-methyl-2-oxo-piperidine-3-carbonyl]amino]-2,2,4,7,13-pentaoxo-2'-vinyl-spiro[2λ6-thia-3,6,12,22-tetrazatricyclo[21.4.0.08,12]heptacosa-1(27),23,25-triene-5,1'-cyclopropane]-10-yl] 4-fluoroisoindoline-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 |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |