(1Z,3R)-1-Diazonio-3-[(N-{5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}-D-Phenylalanyl)Amino]-1-Buten-2-Olate
Properties
Property | Value |
---|---|
Formula | C23H30N6O4S |
IUPAC Name | [(3r)-3-[[(2r)-2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-phenyl-propanoyl]amino]-2-oxo-butyl]-λ1-azanyl-azanide |
Molecular Mass | 486.587 g·mol−1 |
Heat of Formation | -469.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.87 ± 1.08 D |
Volume | 590.47 Å 3 |
Surface Area | 471.47 Å 2 |
HOMO Energy | -8.87 ± 0.55 eV |
LUMO Energy | -1.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | QZMMICCPVJYJJW-CFAFBKJWSA-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 |