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

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Properties Simple | Detailed

Formula C29H40N4O5S2
IUPAC Name 2-acetamido-n-[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
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