2-Methyl-2-Propanyl {4-[({1-[(2S,3R)-3-Hydroxy-4-{Isobutyl[(4-Methoxyphenyl)Sulfonyl]Amino}-1-Phenyl-2-Butanyl]-1H-1,2,3-Triazol-4-Yl}Methyl)Carbamoyl]Benzyl}Carbamate

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Formula C37H48N6O7S
IUPAC Name tert-butyl n-[[4-[[1-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]triazol-4-yl]methylcarbamoyl]phenyl]methyl]carbamate
Molecular Mass 720.878 g·mol−1
Heat of Formation -934.8 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 891.51 Å 3
Surface Area 633.8 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate
InChIKey XWYIBXKLXLXYMK-SZAHLOSFSA-N
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