5-{[(1S,14S)-11,18-Dioxo-15-Thia-4,9,13-Triazahexacyclo[12.6.1.1~3,7~.0~1,16~.0~2,12~.0~10,22~]Docosa-2(12),3,7,10(22),16,19-Hexaen-20-Yl]Sulfanyl}-3-Methyl-L-Histidine
Properties
| Property | Value |
|---|---|
| Formula | C25H22N6O4S2 |
| IUPAC Name | 5-{[(1s,14s)-11,18-dioxo-15-thia-4,9,13-triazahexacyclo[12.6.1.1 3,7 .0 1,16 .0 2,12 .0 10,22 ]docosa-2(12),3,7,10(22),16,19-hexaen-20-yl]sulfanyl}-3-methyl-l-histidine |
| Molecular Mass | 534.610 g·mol−1 |
| Heat of Formation | -81.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.86 ± 1.08 D |
| Volume | 574.32 Å 3 |
| Surface Area | 437.06 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IDKHPZRITBPAFQ-XLCLBUIJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |