N-(Ethylsulfonyl)-5-Propoxy-D-Tryptophyl-N~1~-(4-Carbamimidoylbenzyl)-L-Glutamamide

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Properties Simple | Detailed

Formula C29H39N7O6S
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(5-propoxy-7h-indol-1-ium-7-id-3-yl)propanoyl]amino]pentanediamide
Molecular Mass 613.728 g·mol−1
Heat of Formation -872.0 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 737.37 Å 3
Surface Area 615.45 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(4-amidinobenzyl)-2-[[(2r)-2-(ethylsulfonylamino)-3-(5-propoxy-1h-indol-3-yl)propanoyl]amino]glutaramide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-1-oxo-3-(5-propoxy-1h-indol-3-yl)propyl]amino]pentanediamide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(5-propoxy-1h-indol-3-yl)propanoyl]amino]pentanediamide
  • 2-[2-ethanesulfonylamino-3-(5-propoxy-1h-indol-3-yl)-propionylamino]-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
  • 5pi
  • n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide
InChIKey UHMORXPPNXDKHY-LOSJGSFVSA-N
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