N~2~-Acetyl-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-Ylsulfonyl)(Pentyl)Amino]-3-Hydroxy-1-Phenyl-2-Butanyl}-L-Valinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H40N4O5S2
IUPAC Name (2s)-2-acetamido-n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-butanamide
Molecular Mass 588.782 g·mol−1
Heat of Formation -813.9 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 713.26 Å 3
Surface Area 564.27 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey KSHUKVXBNWNYNR-REUBFRLUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N