3-[(2-{[N-(2,4-Dihydroxy-3,3-Dimethylbutanoyl)-β-Alanyl]Amino}Ethyl)Sulfanyl]-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H33N3O8S |
| IUPAC Name | (2s,3s,5r,6r)-3-[2-[3-[[(2r)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 475.556 g·mol−1 |
| Heat of Formation | -1514.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.66 ± 1.08 D |
| Volume | 575.73 Å 3 |
| Surface Area | 412.76 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IDHUQZYNJINFBS-NQMKFHIASA-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 |