(4R,5S)-3-{[(3S,5S)-5-(Dimethylcarbamoyl)-3-Pyrrolidinyl]Sulfanyl}-5-[(2S,3R)-3-Hydroxy-1-Oxo-2-Butanyl]-4-Methyl-4,5-Dihydro-1H-Pyrrole-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H27N3O5S |
| IUPAC Name | (2s,3r)-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-2-[(1s,2r)-1-formyl-2-hydroxy-propyl]-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid |
| Molecular Mass | 385.478 g·mol−1 |
| Heat of Formation | -826.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.20 ± 1.08 D |
| Volume | 462.83 Å 3 |
| Surface Area | 386.23 Å 2 |
| HOMO Energy | -8.41 ± 0.55 eV |
| LUMO Energy | 2.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DYQHXZPAIVAJRU-HTXLXMOSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |