3-[(2-{[N-(2,4-Dihydroxy-3,3-Dimethylbutanoyl)-β-Alanyl]Amino}Ethyl)Sulfanyl]-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H31N3O7S |
| IUPAC Name | (5r,6r)-3-[2-[3-[[(2s)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Molecular Mass | 457.541 g·mol−1 |
| Heat of Formation | -1274.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.15 ± 1.08 D |
| Volume | 541.06 Å 3 |
| Surface Area | 376.87 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -0.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AWQOXZYWBFPMRH-HWWQOWPSSA-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 |