N~2~-Acetyl-N-[(2S,3R)-3-Hydroxy-4-{Isobutyl[(4-Methoxyphenyl)Sulfonyl]Amino}-1-Phenyl-2-Butanyl]-L-Isoleucinamide

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Formula C29H43N3O6S
IUPAC Name (2s,3s)-2-acetamido-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-3-methyl-pentanamide
Molecular Mass 561.733 g·mol−1
Heat of Formation -1120.3 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 714.47 Å 3
Surface Area 508.41 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey SMFNBADPJMISMS-PSRPIYIESA-N
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