3-{(2S)-3-[4-(2-Carbamimidamidoethyl)-1-Piperidinyl]-2-[(2-Naphthylsulfonyl)Amino]-3-Oxopropyl}Benzenecarboximidamide

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Properties Simple | Detailed

Formula C28H36N7O3S
IUPAC Name [3-[3-[4-[2-[[azanidyl(azaniumylidene)methyl]amino]ethyl]-1-piperidyl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzenecarboximidoyl]azanide; hydron
Molecular Mass 552.711 g·mol−1
Heat of Formation -173.4 ± 16.7 kJ·mol−1
Dipole Moment 11.03 ± 1.08 D
Volume 666.22 Å 3
Surface Area 538.47 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide
  • 3-[(2s)-3-[4-(2-guanidinoethyl)-1-piperidinyl]-2-(2-naphthylsulfonylamino)-3-oxopropyl]benzamidine
  • 3-[(2s)-3-[4-(2-guanidinoethyl)-1-piperidyl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine
  • 3-[(2s)-3-[4-(2-guanidinoethyl)-1-piperidyl]-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine
  • 3-[(2s)-3-[4-[2-(diaminomethylideneamino)ethyl]piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxo-propyl]benzenecarboximidamide
  • 3-[(2s)-3-[4-[2-(diaminomethylideneamino)ethyl]piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
InChIKey BKOKSJAQZJNVPN-VWLOTQADSA-N
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