6-({(1S)-1-(4-Hydroxyphenyl)-2-[(N~2~-Methyl-D-Asparaginyl)Amino]-2-Oxoethyl}Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H27N5O7S |
| IUPAC Name | (2s,5r,6s)-6-[[(1s)-2-[[(2s)-4-amino-2-(methylamino)-4-oxo-butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 493.533 g·mol−1 |
| Heat of Formation | -1025.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.83 ± 1.08 D |
| Volume | 574.12 Å 3 |
| Surface Area | 460.29 Å 2 |
| HOMO Energy | -9.39 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ATPVSNJCPGPJGO-LVHQOGBASA-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 |