(3R)-4-{[(2-Aminoethyl)Carbamoyl]Oxy}-N-(2-Formyl-3-Indolizinyl)-3-Sulfino-D-Valine
Properties
| Property | Value |
|---|---|
| Formula | C17H22N4O7S |
| IUPAC Name | 2-[(2-formyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]acetic acid; hydron; 3-hydroxysulfanylprop-1-ynyl n-(2-aminoethyl)carbamate; hydrate |
| Molecular Mass | 426.444 g·mol−1 |
| Heat of Formation | 1260.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.89 ± 1.08 D |
| Volume | 450.27 Å 3 |
| Surface Area | 401.22 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -2.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UGXGYKKZKHIUJW-GUYCJALGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |