N-{(3S)-1-[(Benzyloxy)Sulfamoyl]-5-Phenyl-3-Pentanyl}-Nalpha-[(4-Methyl-1-Piperazinyl)Carbonyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C33H43N5O5S
IUPAC Name n-[(1s)-1-benzyl-2-[[(1s)-1-[2-(benzyloxysulfamoyl)ethyl]-3-phenyl-propyl]amino]-2-oxo-ethyl]-4-methyl-piperazine-1-carboxamide
Molecular Mass 621.790 g·mol−1
Heat of Formation -601.3 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 750.68 Å 3
Surface Area 518.46 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide
  • 4-methyl-n-[(1s)-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-(phenylmethoxysulfamoyl)propyl]amino]-1-(phenylmethyl)ethyl]-1-piperazinecarboxamide
  • 4-methyl-n-[(1s)-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-(phenylmethoxysulfamoyl)propyl]amino]-1-(phenylmethyl)ethyl]piperazine-1-carboxamide
  • n-[(1s)-1-(benzyl)-2-[[(1s)-1-[2-(benzyloxysulfamoyl)ethyl]-3-phenyl-propyl]amino]-2-keto-ethyl]-4-methyl-piperazine-1-carboxamide
  • vs4
InChIKey PPIYQXGSPPWVLJ-CONSDPRKSA-N
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