4-({4-[(2S)-3-(3-Carbamimidoylphenyl)-2-{[(2,4,6-Triisopropylphenyl)Sulfonyl]Amino}Propanoyl]-1-Piperazinyl}Carbonyl)-1-Piperidinecarboximidamide

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Properties Simple | Detailed

Formula C36H54N8O4S
IUPAC Name 4-[4-[(2s)-3-(3-carbamimidoylphenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carbonyl]piperidine-1-carboxamidine
Molecular Mass 694.930 g·mol−1
Heat of Formation -660.5 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 862.03 Å 3
Surface Area 564.64 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
  • 4-[4-[(2s)-3-(3-amidinophenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carbonyl]piperidine-1-carboxamidine
  • 4-[4-[(2s)-3-(3-carbamimidoylphenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carbonyl]piperidine-1-carboxamidine
  • 4-[4-[(2s)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazin-1-yl]carbonylpiperidine-1-carboximidamide
  • 4-[4-[(2s)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carbonyl]piperidine-1-carboximidamide
  • 4-[[4-[(2s)-3-(3-carbamimidoylphenyl)-1-oxo-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxamidine
InChIKey KSEVHDWJTMMENT-HKBQPEDESA-N
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