(2S)-2-[(3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl]-N-{(1R,2S)-3-(3,5-Difluorophenyl)-1-Hydroxy-1-[(3R)-1,2,3,4-Tetrahydro-3-Isoquinolinyl]-2-Propanyl}-4-Phenylbutanamide
Properties
| Property | Value |
|---|---|
| Formula | C38H46F2N4O4 |
| IUPAC Name | (2s)-2-[(3r)-3-acetamido-3-isobutyl-2-oxo-pyrrolidin-1-yl]-n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-phenyl-butanamide |
| Molecular Mass | 660.793 g·mol−1 |
| Heat of Formation | -1019.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.79 ± 1.08 D |
| Volume | 818.79 Å 3 |
| Surface Area | 608.57 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | -0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JJJDOYFRIVNWHV-WUCUQKTKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |