N~2~-{(2R,4S,5S)-6-Cyclohexyl-4-Hydroxy-2-Isobutyl-5-[(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalanyl-L-Histidyl)Amino]Hexanoyl}-L-Lysyl-L-Phenylalanine
Properties
Property | Value |
---|---|
Formula | C51H76N8O9 |
IUPAC Name | (2s)-2-[[(2s)-6-amino-2-[[(2r,4s,5s)-5-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1h-imidazol-3-ium-5-id-5-yl)propanoyl]amino]-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoic acid |
Molecular Mass | 945.197 g·mol−1 |
Heat of Formation | -1876.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.55 ± 1.08 D |
Volume | 1214.08 Å 3 |
Surface Area | 853.98 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | YHLJEWZZOJLRNJ-XDDFAUCWSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |