2-(2-{6-[(11-Isobutyl-14-Methyl-5,9,12,15-Tetraoxotetradecahydro-7H-Pyridazino[6,1-C][1,4,7,10]Oxatriazacyclotridecin-8-Yl)Carbamoyl]-5,6-Dihydro-1(4H)-Pyridazinyl}-2-Oxoethyl)Heptanoate
Properties
| Property | Value |
|---|---|
| Formula | C31H49N7O9 |
| IUPAC Name | (2s)-2-[2-[(3s)-3-[[(3s,6r,9s,13r)-6-isobutyl-3-methyl-2,5,8,12-tetraoxo-11-oxa-1,4,7,17-tetrazabicyclo[11.4.0]heptadecan-9-yl]carbamoyl]-4,5-dihydro-3h-pyridazin-2-yl]-2-oxo-ethyl]heptanoic acid |
| Molecular Mass | 663.762 g·mol−1 |
| Heat of Formation | -1649.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 806.93 Å 3 |
| Surface Area | 624.2 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YYIFRWLBTUAIOT-WBCRQVGVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |