N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)Phenyl]Cyclopropyl}Carbonyl)-L-Isoleucyl-L-Aspartamide
Properties
| Property | Value |
|---|---|
| Formula | C22H32N5O9P |
| IUPAC Name | [4-[(1s,2r,3r)-2-[[(1s,2s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate |
| Molecular Mass | 541.491 g·mol−1 |
| Heat of Formation | -1909.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.21 ± 1.08 D |
| Volume | 625.67 Å 3 |
| Surface Area | 515.48 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | -0.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TXAWBRUKEBJWOA-LWVFFRLXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |