N-[(4S,5R)-4,5,7-Tricarboxyheptanoyl]-L-γ-Glutamyl-N-[2-(4-{[5-(Formamidomethyl)-3-Furyl]Methoxy}Phenyl)Ethyl]-L-Glutamine
Properties
Property | Value |
---|---|
Formula | C35H44N4O16 |
IUPAC Name | (3s,4r)-7-[[(1s)-1-carboxy-4-[[(1r)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid |
Molecular Mass | 776.741 g·mol−1 |
Heat of Formation | -2967.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.89 ± 1.08 D |
Volume | 940.49 Å 3 |
Surface Area | 677.34 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -0.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | RGBIJPWAWLXPOC-RAVGUYNFSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |