1-[N-(2-Naphthylsulfonyl)Glycyl-4-Carbamimidoyl-L-Phenylalanyl]Piperidine

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Properties Simple | Detailed

Formula C27H31N5O4S
IUPAC Name n-[(2s)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
Molecular Mass 521.631 g·mol−1
Heat of Formation -450.0 ± 16.7 kJ·mol−1
Dipole Moment 11.19 ± 1.08 D
Volume 622.02 Å 3
Surface Area 431.55 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-n-(p-amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)acetamide
  • acetamide, n-(p-amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)-, (s)-
  • n-[(1s)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide
  • n-[(1s)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide
  • n-[(2s)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide
CAS Number(s)
  • 86845-59-2
  • 88095-68-5
InChIKey XXTWZTPVNIYSJZ-DEOSSOPVSA-N
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