N-(Propylsulfonyl)-D-Threonyl-N-(4-Carbamimidoylbenzyl)-L-Methioninamide

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Properties Simple | Detailed

Formula C20H33N5O5S2
IUPAC Name (2r,3s)-n-[(1s)-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide
Molecular Mass 487.637 g·mol−1
Heat of Formation -864.6 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 581.96 Å 3
Surface Area 503.99 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-n-[(1s)-1-[(4-amidinobenzyl)carbamoyl]-3-(methylthio)propyl]-3-hydroxy-2-(propylsulfonylamino)butyramide
  • (2r,3s)-n-[(1s)-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide
  • (2r,3s)-n-[(1s)-1-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-3-(methylthio)propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide
  • (2r,3s)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxo-butan-2-yl]-3-hydroxy-2-(propylsulfonylamino)butanamide
  • (2r,3s)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-hydroxy-2-(propylsulfonylamino)butanamide
  • n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide
  • psm
InChIKey AIIJKVORRBMJHS-RRQGHBQHSA-N
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