N-{(2S)-1-[4-(3-Aminopropyl)Piperazin-1-Yl]-5-Carbamimidamido-1-Oxopentan-2-Yl}-3-(Trifluoromethyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C20H32F3N7O3S
IUPAC Name 2-[(4s)-5-[4-(3-aminopropyl)piperazin-1-yl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
Molecular Mass 507.573 g·mol−1
Heat of Formation -1031.9 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 586.6 Å 3
Surface Area 485.92 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4s)-5-[4-(3-aminopropyl)-1-piperazinyl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • 2-[(4s)-5-[4-(3-aminopropyl)piperazin-1-yl]-5-keto-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • 2-[(4s)-5-[4-(3-aminopropyl)piperazin-1-yl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • l-arginine template inhibitor cs107
  • miu
  • n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
InChIKey KGJKWHCPJPBEJP-KRWDZBQOSA-N
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