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

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Properties Simple | Detailed

Formula C30H42N4O5S2
IUPAC Name (2s,3s)-2-acetamido-n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-pentanamide
Molecular Mass 602.808 g·mol−1
Heat of Formation -869.6 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 735.3 Å 3
Surface Area 506.55 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey OVZSMGMZKQWSSF-IFFHWBOBSA-N
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