(2S,5S,8S,13S,Z)-5-Benzyl-2-(Cyclohexylmethyl)-3,6,9,15,18-Pentaoxo-8-(3-(Pyrazine-2-Carboxamido)Propyl)-1,4,7,10,14-Pentaazacyclooctadec-16-Ene-13-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C36H46N8O8 |
| IUPAC Name | (2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-[3-(pyrazine-2-carbonylamino)propyl]-1,4,7,10,14-pentazacyclooctadec-16-ene-13-carboxylic acid |
| Molecular Mass | 718.799 g·mol−1 |
| Heat of Formation | -1267.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 862.18 Å 3 |
| Surface Area | 653.69 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | -1.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LHFIQSGZMYMEJJ-SCQOSXKUSA-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 |