(5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl 7-{[(Alanyloxy)(Phenyl)Acetyl]Amino}-3-{[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C27H27N5O9S3 |
IUPAC Name | (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2r)-2-[(2s)-2-aminopropanoyl]oxy-2-phenyl-acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
Molecular Mass | 661.726 g·mol−1 |
Heat of Formation | -956.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.45 ± 1.08 D |
Volume | 725.8 Å 3 |
Surface Area | 548.23 Å 2 |
HOMO Energy | -8.81 ± 0.55 eV |
LUMO Energy | -1.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | AMMYEZPDRKXESR-FUAXHUKWSA-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 |