(4R,5S)-3-{[1-(4,5-Dihydro-1,3-Thiazol-2-Yl)-3-Azetidinyl]Sulfanyl}-5-[(2S,3R)-3-Hydroxy-1-Oxo-2-Butanyl]-4-Methyl-4,5-Dihydro-1H-Pyrrole-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H23N3O4S2 |
| IUPAC Name | (2s,3r)-4-[1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl]sulfanyl-2-[(1s,2r)-1-formyl-2-hydroxy-propyl]-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid |
| Molecular Mass | 385.502 g·mol−1 |
| Heat of Formation | -482.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.71 ± 1.08 D |
| Volume | 442.91 Å 3 |
| Surface Area | 379.34 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | 2.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PGCJBZBFZXWIGF-CNVPUSNMSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |