N~2~-{[1-(4-Chlorophenyl)-5-Methyl-1H-1,2,4-Triazol-3-Yl]Carbonyl}-N~5~-(Diaminomethylene)-L-Ornithyl-L-Leucyl-L-Isoleucyl-4-Fluoro-L-Phenylalaninamide
Properties
| Property | Value |
|---|---|
| Formula | C37H51ClFN11O5 |
| IUPAC Name | n-[(1s)-1-[[(1s)-1-[[(1s,2s)-1-[[(1s)-2-amino-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide |
| Molecular Mass | 784.323 g·mol−1 |
| Heat of Formation | -941.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.28 ± 1.08 D |
| Volume | 956.36 Å 3 |
| Surface Area | 743.84 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | -1.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KPJZLROHGAJEAN-WRTIUAHLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H Cl O N |