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,6s)-3-[2-[3-[[(2s)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1s)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass | 475.556 g·mol−1 |
Heat of Formation | -1504.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.55 ± 1.08 D |
Volume | 579.24 Å 3 |
Surface Area | 427.65 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -0.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | IDHUQZYNJINFBS-MORDUDPPSA-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 |