2,5-Dioxo-1-{[6-({5-[(4R)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Amino)Hexanoyl]Oxy}-3-Pyrrolidinesulfonic Acid
Properties
Property | Value |
---|---|
Formula | C20H30N4O9S2 |
IUPAC Name | (3s)-1-[6-[5-[(3as,4r,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid |
Molecular Mass | 534.604 g·mol−1 |
Heat of Formation | -1489.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.06 ± 1.08 D |
Volume | 617.1 Å 3 |
Surface Area | 439.46 Å 2 |
HOMO Energy | -8.52 ± 0.55 eV |
LUMO Energy | -0.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | UQZHJQWIISKTJN-ZXTQRBJTSA-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 |