3-(2-{[3-(2-Carboxyethyl)-3A,6-Dimethyl-7-Oxo-3A,4,6,7-Tetrahydro-1H-Pyrrolo[3',2':5,6]Cyclohepta[1,2-B]Pyrrol-2-Yl]Methyl}-4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl)Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C33H36N4O6 |
IUPAC Name | 3-(2-{[3-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-3a,4,6,7-tetrahydro-1h-pyrrolo[3',2':5,6]cyclohepta[1,2-b]pyrrol-2-yl]methyl}-4-methyl-5-[(e)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-1h-pyrrol-3-yl)propanoic acid |
Molecular Mass | 584.662 g·mol−1 |
Heat of Formation | -747.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.11 ± 1.08 D |
Volume | 705.13 Å 3 |
Surface Area | 522.72 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -1.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | YNYZRBOEYUCGSF-CMAYMEKHSA-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 |