N-{(2R)-1-[(1-{[(6-Carbamimidoyl-3-Pyridinyl)Methyl]Carbamoyl}Cyclopentyl)Amino]-3-Cyclohexyl-1-Oxo-2-Propanyl}Glycine

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Properties Simple | Detailed

Formula C24H36N6O4
IUPAC Name 2-[[(1r)-2-[[1-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]cyclopentyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
Molecular Mass 472.580 g·mol−1
Heat of Formation -699.5 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 598.49 Å 3
Surface Area 451.62 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1r)-2-[[1-[(6-amidino-3-pyridyl)methylcarbamoyl]cyclopentyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[[1-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]cyclopentyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[[1-[[(6-carbamimidoyl-3-pyridyl)methylamino]-oxomethyl]cyclopentyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
  • 2-[[(2r)-1-[[1-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]cyclopentyl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
  • 2-[[(2r)-1-[[1-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]cyclopentyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
  • n12
InChIKey OYDOPLZDDBTLCK-LJQANCHMSA-N
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