(1S,9S)-9-{[(1S)-1-Carboxy-3-(4-Hydroxyphenyl)Propyl]Amino}-10-Oxooctahydro-6H-Pyridazino[1,2-A][1,2]Diazepine-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H27N3O6 |
| IUPAC Name | (4s,7s)-7-[[(1s)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid |
| Molecular Mass | 405.445 g·mol−1 |
| Heat of Formation | -978.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.72 ± 1.08 D |
| Volume | 476.55 Å 3 |
| Surface Area | 397.97 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 0.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DJJGMVZKUBHPAB-YESZJQIVSA-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 |