N-{(2R)-1-[(2S)-2-{[(6-Carbamimidoyl-3-Pyridinyl)Methyl]Carbamoyl}-2,5-Dihydro-1H-Pyrrol-1-Yl]-3-Cyclohexyl-1-Oxo-2-Propanyl}Glycine

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Properties Simple | Detailed

Formula C23H32N6O4
IUPAC Name 2-[[(1r)-2-[(2s)-2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
Molecular Mass 456.538 g·mol−1
Heat of Formation -505.2 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 558.45 Å 3
Surface Area 477.24 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid
  • 2-[[(1r)-2-[(2s)-2-[(6-amidino-3-pyridyl)methylcarbamoyl]-3-pyrrolin-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[(2s)-2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[(2s)-2-[[(6-carbamimidoyl-3-pyridyl)methylamino]-oxomethyl]-2,5-dihydropyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
  • 2-[[(2r)-1-[(2s)-2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
  • 2-[[(2r)-1-[(2s)-2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
InChIKey DSEQCUGXKCOSSU-MOPGFXCFSA-N
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