(2S,5R,6R)-6-{[{[(3,4-Dihydroxybenzoyl)(3-Hydroxypropyl)Carbamoyl]Amino}(Phenyl)Acetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H30N4O9S |
| IUPAC Name | (2s,5r,6s)-6-[[(2r)-2-[[(3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 586.614 g·mol−1 |
| Heat of Formation | -1323.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.43 ± 1.08 D |
| Volume | 672.17 Å 3 |
| Surface Area | 516.56 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | -0.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CKWLJDSVKGAMKR-FIXDAVPBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |