Ethyl 4-{3-Carbamimidoyl-N-[(2,4,6-Triisopropylphenyl)Sulfonyl]-L-Phenylalanyl}-1-Piperazinecarboxylate

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Formula C32H47N5O5S
IUPAC Name ethyl 4-[(2s)-3-(3-carbamimidoylphenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
Molecular Mass 613.811 g·mol−1
Heat of Formation -919.4 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 760.63 Å 3
Surface Area 517.73 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s)-3-(3-amidinophenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylic acid ethyl ester
  • 4-[(2s)-3-(3-carbamimidoylphenyl)-1-oxo-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propyl]-1-piperazinecarboxylic acid ethyl ester
  • ethyl 4-[(2s)-3-(3-carbamimidoylphenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
  • ethyl 4-[(2s)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
InChIKey ISJSHQTWOHGCMM-NDEPHWFRSA-N
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