Butyl (2S,3S)-3-(4-Aminocyclohexyl)-3-({[2-(Benzylsulfonyl)-4-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazin-6-Yl]Carbonyl}Amino)-2-Hydroxypropanoate
Properties
| Property | Value |
|---|---|
| Formula | C28H38N4O7S |
| IUPAC Name | butyl (2s,3s)-3-(4-aminocyclohexyl)-3-[[(2s)-2-benzylsulfonyl-4-oxo-1,3-dihydropyrrolo[1,2-a]pyrazin-5-ium-8a-ylium-6-carbonyl]amino]-2-hydroxy-propanoate |
| Molecular Mass | 574.689 g·mol−1 |
| Heat of Formation | -1102.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.22 ± 1.08 D |
| Volume | 682.46 Å 3 |
| Surface Area | 545.43 Å 2 |
| HOMO Energy | -9.21 ± 0.55 eV |
| LUMO Energy | -0.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RFAVPVOPIIHJKP-PJTSNVSCSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |