(3R,3As,6Ar)-Hexahydrofuro[2,3-B]Furan-3-Yl [(2S,3R)-4-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2S)-2-Methylbutyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]Carbamate
Properties
Property | Value |
---|---|
Formula | C29H37N3O7S2 |
IUPAC Name | [(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate |
Molecular Mass | 603.750 g·mol−1 |
Heat of Formation | -1075.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.68 ± 1.08 D |
Volume | 699.34 Å 3 |
Surface Area | 498.99 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | 1.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | COTBSCQKHDXTHH-RPEWIUDZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |