6-{[({[2-(4-Formyl-1-Piperazinyl)-5-Oxo-5,8-Dihydropyrido[2,3-D]Pyrimidin-6-Yl]Carbonyl}Amino)(4-Hydroxyphenyl)Acetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H30N8O8S |
| IUPAC Name | (2s,5r,6r)-6-[[(2r)-2-[[2-(4-formylpiperazin-1-yl)-5-oxo-pyrido[2,3-d]pyrimidin-8-ium-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 650.662 g·mol−1 |
| Heat of Formation | -932.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.89 ± 1.08 D |
| Volume | 720.93 Å 3 |
| Surface Area | 580.22 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YTJRZMJLBUOVBK-MZJLILPGSA-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 |