N-Tert-Butyl-2-[3-[[3-Methyl-3-Methylsulfonyl-2-[[2-(3-Pyridyloxy)Acetyl]Amino]Butanoyl]Amino]-2-Oxo-4-Phenyl-Butyl]-3,4,4A,5,6,7,8,8A-Octahydro-1H-Isoquinoline-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C37H53N5O7S |
| IUPAC Name | n-tert-butyl-2-[3-[[3-methyl-3-methylsulfonyl-2-[[2-(3-pyridyloxy)acetyl]amino]butanoyl]amino]-2-oxo-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxamide |
| Molecular Mass | 711.911 g·mol−1 |
| Heat of Formation | -1213.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.48 ± 1.08 D |
| Volume | 871.66 Å 3 |
| Surface Area | 589.78 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | -0.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NHCWVIKQVTUOGE-HAMVXVSQSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |