N-(Benzylsulfonyl)-D-Seryl-N-(4-Carbamimidoylbenzyl)Glycinamide

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Properties Simple | Detailed

Formula C20H25N5O5S
IUPAC Name (2r)-2-(benzylsulfonylamino)-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-propanamide
Molecular Mass 447.508 g·mol−1
Heat of Formation -625.0 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 519.48 Å 3
Surface Area 464.79 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide
  • (2r)-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • 2in
  • n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide
InChIKey MIDRZAUOYQDRRT-QGZVFWFLSA-N
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