N-{(2S,3R)-4-[(1,3-Benzothiazol-6-Ylsulfonyl)(Isobutyl)Amino]-3-Hydroxy-1-Phenyl-2-Butanyl}-3-Hydroxybenzamide

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Properties Simple | Detailed

Formula C28H31N3O5S2
IUPAC Name n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide
Molecular Mass 553.693 g·mol−1
Heat of Formation -574.2 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 648.19 Å 3
Surface Area 509.6 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-3-(1,3-benzothiazol-6-ylsulfonyl-isobutyl-amino)-1-(benzyl)-2-hydroxy-propyl]-3-hydroxy-benzamide
  • n-[(1s,2r)-3-(1,3-benzothiazol-6-ylsulfonyl-isobutyl-amino)-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy-benzamide
  • n-[(1s,2r)-3-(1,3-benzothiazol-6-ylsulfonyl-isobutylamino)-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxybenzamide
  • n-[(2s,3r)-4-(1,3-benzothiazol-6-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenyl-butan-2-yl]-3-hydroxy-benzamide
  • n-[(2s,3r)-4-(1,3-benzothiazol-6-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
InChIKey MQZZULHKSPXDHA-IZZNHLLZSA-N
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