Benzyl [(1S,2S)-6-Amino-1-Hydroxy-1-(5-{[4-(4-Phenylbutanoyl)-1-Piperazinyl]Methyl}-1,2,4-Oxadiazol-3-Yl)-2-Hexanyl]Carbamate

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Properties Simple | Detailed

Formula C31H42N6O5
IUPAC Name benzyl n-[(1s)-5-amino-1-[(s)-hydroxy-[5-[[4-(4-phenylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]pentyl]carbamate
Molecular Mass 578.702 g·mol−1
Heat of Formation -524.7 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 721.49 Å 3
Surface Area 587.05 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate
  • n-[(1s)-5-amino-1-[(s)-hydroxy-[5-[[4-(1-oxo-4-phenylbutyl)-1-piperazinyl]methyl]-1,2,4-oxadiazol-3-yl]methyl]pentyl]carbamic acid phenylmethyl ester
  • n-[(1s)-5-amino-1-[(s)-hydroxy-[5-[[4-(4-phenylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]pentyl]carbamic acid benzyl ester
  • phenylmethyl n-[(1s)-5-amino-1-[(s)-hydroxy-[5-[[4-(4-phenylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]pentyl]carbamate
InChIKey LRPAFCFDXNPFAF-WNJJXGMVSA-N
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