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

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Properties Simple | Detailed

Formula C26H33N7O5S
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(7h-indol-1-ium-7-id-3-yl)propanoyl]amino]pentanediamide
Molecular Mass 555.649 g·mol−1
Heat of Formation -657.1 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 661.93 Å 3
Surface Area 547.86 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(4-amidinobenzyl)-2-[[(2r)-2-(ethylsulfonylamino)-3-(1h-indol-3-yl)propanoyl]amino]glutaramide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(1h-indol-3-yl)-1-oxopropyl]amino]pentanediamide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(1h-indol-3-yl)propanoyl]amino]pentanediamide
  • 2-[2-ethanesulfonylamino-3-(1h-indol-3-yl)-propionylamino]-pentanedioic acid 5-amide 1-(4-carbamim idoyl-benzylamide)
  • n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide
  • p5b
InChIKey FJGWLOKDOKYXMU-FCHUYYIVSA-N
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