(2R,6S,12Z,13As,14Ar,16As)-14A-{[(Cyclopropylsulfonyl)Amino]Methyl}-6-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-5,16-Dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-Hexadecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecin-2-Yl 4-Fluoro-1,3-Dihydro-2H-Isoindole-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C35H48FN5O8S |
IUPAC Name | [(1s,4r,6s,7z,14s,18r)-14-(tert-butoxycarbonylamino)-4-[(cyclopropylsulfonylamino)methyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoroisoindoline-2-carboxylate |
Molecular Mass | 717.848 g·mol−1 |
Heat of Formation | -1431.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.21 ± 1.08 D |
Volume | 853.57 Å 3 |
Surface Area | 651.22 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | -0.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | NLLUOMDMSMVXKN-UIOHFMAFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |