1-{N-[(4-Methylphenyl)Sulfonyl]Glycyl-4-Carbamimidoyl-L-Phenylalanyl}Piperidine

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Properties Simple | Detailed

Formula C24H27N5O4S
IUPAC Name n-[(2s)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide
Molecular Mass 481.567 g·mol−1
Heat of Formation -550.4 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 584.58 Å 3
Surface Area 457.4 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • n(alpha)-tosylglycyl-4-amidinophenylalanine piperidide
  • n-[(1s)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
  • n-[(1s)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
  • n-[(2s)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-yl-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide
  • nalpha-tosylglycyl-4-amidinophenylalanine piperidide
  • t-gly-a-phe-pip
CAS Number(s)
  • 99452-52-5
InChIKey VFOMWUXIXMBJJL-NRFANRHFSA-N
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