3,4-Dihydroxy-N-[(2S,3R)-3-Hydroxy-4-{[(3-Methoxyphenyl)Sulfonyl](2-Thienylmethyl)Amino}-1-Phenyl-2-Butanyl]Benzamide

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Formula C29H30N2O7S2
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-3,4-dihydroxy-benzamide
Molecular Mass 582.688 g·mol−1
Heat of Formation -868.4 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 666.12 Å 3
Surface Area 480.71 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]-1-(phenylmethyl)propyl]benzamide
  • 3,4-dihydroxy-n-[(2s,3r)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenyl-butan-2-yl]benzamide
  • 3,4-dihydroxy-n-[(2s,3r)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
  • n-[(1s,2r)-1-(benzyl)-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-3,4-dihydroxy-benzamide
InChIKey VEWOLYUNGFMYJI-LBNVMWSVSA-N
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