N-{(3S,16S)-3-Benzyl-16-[(2S)-2-Butanyl]-5,8,15-Trioxo-1-Thia-4,7,14-Triazacyclohexadecan-9-Yl}-L-Tyrosinamide
Properties
| Property | Value |
|---|---|
| Formula | C32H45N5O5S |
| IUPAC Name | (2r)-2-amino-n-[(3r,9s,16s)-3-benzyl-16-[(1r)-1-methylpropyl]-5,8,15-trioxo-1-thia-4,7,14-triazacyclohexadec-9-yl]-3-(4-hydroxyphenyl)propanamide |
| Molecular Mass | 611.795 g·mol−1 |
| Heat of Formation | -948.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.10 ± 1.08 D |
| Volume | 763.05 Å 3 |
| Surface Area | 543.11 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | -0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMVHBOGONQSDBU-OJMPKVGASA-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 |