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 | (2s)-2-amino-n-[(3s,9r,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 | -919.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.12 ± 1.08 D |
Volume | 780.95 Å 3 |
Surface Area | 557.96 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -0.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | KMVHBOGONQSDBU-JEJHKPFWSA-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 |