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

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Properties Simple | Detailed

Formula C34H41N5O7S
IUPAC Name [1-[(1s,2r)-1-benzyl-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl]triazol-4-yl]methyl n-[(1r,2r)-2-hydroxyindan-1-yl]carbamate
Molecular Mass 663.784 g·mol−1
Heat of Formation -819.8 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 785.49 Å 3
Surface Area 630.03 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • [1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate
  • ab2
InChIKey MEWAZRJLRMEJDV-LDLFXXLYSA-N
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