(3S,6S,12R)-12-Amino-6-Benzyl-3-Isobutyl-4-(L-Tyrosyl)-1,4,7,10-Tetraazacyclotetradecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C30H40N6O6 |
| IUPAC Name | (3r,6r,12s)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-3-isobutyl-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone |
| Molecular Mass | 580.675 g·mol−1 |
| Heat of Formation | -1002.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.15 ± 1.08 D |
| Volume | 707.31 Å 3 |
| Surface Area | 487.7 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -0.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RENGGPKMSRKEQC-CXSMSNRLSA-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 |