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

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Properties Simple | Detailed

Formula C30H42N4O5S2
IUPAC Name (2s)-2-acetamido-n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]-4-methyl-pentanamide
Molecular Mass 602.808 g·mol−1
Heat of Formation -853.7 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 733.1 Å 3
Surface Area 499.03 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey DTBCRFWBLISCCS-WNQFUHBBSA-N
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