(2S,3S)-3-Amino-4-[(3S)-3-Fluoro-1-Pyrrolidinyl]-N,N-Dimethyl-4-Oxo-2-[Trans-4-([1,2,4]Triazolo[1,5-A]Pyridin-5-Yl)Cyclohexyl]Butanamide
Properties
| Property | Value |
|---|---|
| Formula | C22H31FN6O2 |
| IUPAC Name | (2s,3s)-3-amino-2-[4-(9-aza-1-azonia-7-azanidabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-yl)cyclohexyl]-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-butanamide |
| Molecular Mass | 430.519 g·mol−1 |
| Heat of Formation | -353.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.48 ± 1.08 D |
| Volume | 517.09 Å 3 |
| Surface Area | 413.16 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | 2.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZPWDKZWKUOYOHA-UKSSEWCLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |