N-(Benzylsulfonyl)-O-(2-Methyl-2-Propanyl)-D-Seryl-N-(4-Carbamimidoylbenzyl)Glycinamide

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Properties Simple | Detailed

Formula C24H33N5O5S
IUPAC Name (2r)-2-(benzylsulfonylamino)-3-tert-butoxy-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]propanamide
Molecular Mass 503.614 g·mol−1
Heat of Formation -719.7 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 605.78 Å 3
Surface Area 517.89 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-tert-butoxy-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-3-tert-butoxy-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-3-tert-butoxy-propionamide
  • (2r)-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethylsulfonylamino)propanamide
InChIKey NAEBSNBHOZLKPM-HXUWFJFHSA-N
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