N-Propionyl-D-Alanyl-(4R)-4-[(7-Bromo-1-Isoquinolinyl)Oxy]-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)Carbamoyl]-2-Vinylcyclopropyl}-L-Prolinamide
Properties
| Property | Value |
|---|---|
| Formula | C29H34BrN5O7S |
| IUPAC Name | (2s,4r)-4-[(7-bromo-1-isoquinolyl)oxy]-n-[(1r,2s)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2r)-2-(propanoylamino)propanoyl]pyrrolidine-2-carboxamide |
| Molecular Mass | 676.579 g·mol−1 |
| Heat of Formation | -832.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.05 ± 1.08 D |
| Volume | 727.89 Å 3 |
| Surface Area | 597.64 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UASANAAIVKZTRJ-FLRFPRABSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |