N-{[(3S)-1-Carbamimidoyl-3-Piperidinyl]Methyl}-Nalpha-(2-Naphthylsulfonyl)-D-Phenylalaninamide

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Formula C26H31N5O3S
IUPAC Name (2r)-n-[[(3s)-1-carbamimidoyl-3-piperidyl]methyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propanamide
Molecular Mass 493.621 g·mol−1
Heat of Formation -265.9 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 595.9 Å 3
Surface Area 449.62 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[[(3s)-1-amidino-3-piperidyl]methyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propionamide
  • (2r)-n-[[(3s)-1-carbamimidoyl-3-piperidinyl]methyl]-2-(2-naphthylsulfonylamino)-3-phenylpropanamide
  • (2r)-n-[[(3s)-1-carbamimidoyl-3-piperidyl]methyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propanamide
  • (2r)-n-[[(3s)-1-carbamimidoylpiperidin-3-yl]methyl]-2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide
  • (2r)-n-[[(3s)-1-carbamimidoylpiperidin-3-yl]methyl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
InChIKey WWJJOLLOSVQTGQ-GBXCKJPGSA-N
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