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

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Properties Simple | Detailed

Formula C21H27N5O6S
IUPAC Name (2s)-2-[[(2r)-2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-n-[(4-carbamimidoylphenyl)methyl]-3-hydroxy-propanamide
Molecular Mass 477.534 g·mol−1
Heat of Formation -827.4 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 548.09 Å 3
Surface Area 481.36 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[(1s)-2-[(4-amidinobenzyl)amino]-2-keto-1-methylol-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide
  • (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-(hydroxymethyl)-2-oxo-ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-(hydroxymethyl)-2-oxoethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxo-propan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • 7in
  • n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide
InChIKey ZNOKJHWJKULOGM-ZWKOTPCHSA-N
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