N-(Benzylsulfonyl)-D-Seryl-O-Benzyl-N-(4-Carbamimidoylbenzyl)-L-Serinamide

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Properties Simple | Detailed

Formula C28H33N5O6S
IUPAC Name (2r)-n-[(1s)-1-(benzyloxymethyl)-2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propanamide
Molecular Mass 567.657 g·mol−1
Heat of Formation -719.5 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 666.56 Å 3
Surface Area 533.96 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[(1s)-2-[(4-amidinobenzyl)amino]-1-(benzyloxymethyl)-2-keto-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide
  • (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-1-(phenylmethoxymethyl)ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-3-(phenylmethoxy)propan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • 5in
  • n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide
InChIKey RLZYVXBJYQEXBP-RPBOFIJWSA-N
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