(3S)-3-({[(5S)-2-{2-[(1H-Benzimidazol-5-Ylcarbonyl)Amino]Ethyl}-7-(Cyclohexylmethyl)-1,3-Dioxo-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazin-5-Yl]Carbonyl}Amino)-4-Oxopentanoic Acid
Properties
Property | Value |
---|---|
Formula | C29H35N7O7 |
IUPAC Name | (3s)-3-[[(8s)-2-[2-(3h-benzimidazole-5-carbonylamino)ethyl]-6-(cyclohexylmethyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carbonyl]amino]-4-oxo-pentanoic acid |
Molecular Mass | 593.631 g·mol−1 |
Heat of Formation | -995.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.18 ± 1.08 D |
Volume | 689.9 Å 3 |
Surface Area | 538.91 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -0.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | CSBIJWXSABAIKK-UPVQGACJSA-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 |