N~2~-Acetyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)Sulfonyl]Amino}-2-Butanyl]-L-Alaninamide

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Properties Simple | Detailed

Formula C26H28F3N3O5S2
IUPAC Name (2s)-2-acetamido-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]propanamide
Molecular Mass 583.643 g·mol−1
Heat of Formation -1239.4 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 635.95 Å 3
Surface Area 488.67 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-n-[(1s,2r)-2-hydroxy-1-(phenylmethyl)-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]propanamide
  • (2s)-2-acetamido-n-[(1s,2r)-2-hydroxy-1-(phenylmethyl)-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonylamino]propyl]propanamide
  • (2s)-2-acetamido-n-[(2s,3r)-3-hydroxy-1-phenyl-4-[thiophen-2-ylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]butan-2-yl]propanamide
  • (2s)-2-acetamido-n-[(2s,3r)-3-hydroxy-1-phenyl-4-[thiophen-2-ylmethyl-(2,4,5-trifluorophenyl)sulfonylamino]butan-2-yl]propanamide
  • n-[(1s)-2-[[(1s,2r)-1-(benzyl)-2-hydroxy-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]amino]-2-keto-1-methyl-ethyl]acetamide
InChIKey SQOYURLVDZJWFJ-VVMYJBMMSA-N
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