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

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Properties Simple | Detailed

Formula C21H27N5O5S
IUPAC Name (2r)-2-(benzylsulfonylamino)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide
Molecular Mass 461.535 g·mol−1
Heat of Formation -660.4 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 546.08 Å 3
Surface Area 475.06 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[(1s)-2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide
  • (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxoethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-propan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
InChIKey QJNHUFOFEMCMGR-KBXCAEBGSA-N
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