N-{3-[(4-Carbamimidoylbenzoyl)Amino]Propyl}-1-[(2,4-Dichloro-3-{[(2,4-Dimethyl-8-Quinolinyl)Oxy]Methyl}Phenyl)Sulfonyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C34H36Cl2N6O5S
IUPAC Name (1r,2s)-n-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
Molecular Mass 711.658 g·mol−1
Heat of Formation -557.5 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 803.27 Å 3
Surface Area 578.53 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[3-[(4-amidinobenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
  • (2s)-n-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
  • (2s)-n-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
  • (2s)-n-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide
InChIKey XUHBBTKJWIBQMY-MHZLTWQESA-N
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