Methyl 6-{(3S,6S,9S,15Ar)-9-[(2S)-2-Butanyl]-6-[(1-Methoxy-1H-Indol-3-Yl)Methyl]-1,4,7,10-Tetraoxotetradecahydro-2H-Pyrido[1,2-A][1,4,7,10]Tetraazacyclododecin-3-Yl}Hexanoate
Properties
| Property | Value |
|---|---|
| Formula | C33H47N5O7 |
| IUPAC Name | methyl 6-[(3s,6s,9s,12r)-6-[(1-methoxyindol-3-yl)methyl]-3-[(1r)-1-methylpropyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate |
| Molecular Mass | 625.756 g·mol−1 |
| Heat of Formation | -1127.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.23 ± 1.08 D |
| Volume | 780.74 Å 3 |
| Surface Area | 563.21 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MGSMSINQVPOBFG-UHRIIFNFSA-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 |