(1R)-1-[(Ethoxycarbonyl)Oxy]Ethyl (2S,5R,6R)-6-{[(2R)-2-Amino-2-Phenylacetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H27N3O7S |
IUPAC Name | [(1r)-1-ethoxycarbonyloxyethyl] (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
Molecular Mass | 465.520 g·mol−1 |
Heat of Formation | -1063.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.65 ± 1.08 D |
Volume | 535.29 Å 3 |
Surface Area | 407.56 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 2.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | PFOLLRNADZZWEX-OIKQGAJOSA-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 |