N-(Carboxymethyl)-3-Cyclohexyl-D-Alanyl-N-[(6-Carbamimidoyl-3-Pyridinyl)Methyl]-N~2~-Methyl-L-Alaninamide

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Properties Simple | Detailed

Formula C22H34N6O4
IUPAC Name 2-[[(1r)-2-[[(1s)-2-[(6-carbamimidoyl-3-pyridyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
Molecular Mass 446.543 g·mol−1
Heat of Formation -706.6 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 551.22 Å 3
Surface Area 384.07 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1r)-2-[[(1s)-2-[(6-amidino-3-pyridyl)methylamino]-2-keto-1-methyl-ethyl]-methyl-amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[[(1s)-2-[(6-carbamimidoyl-3-pyridyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
  • 2-[[(1r)-2-[[(1s)-2-[(6-carbamimidoyl-3-pyridyl)methylamino]-1-methyl-2-oxoethyl]-methylamino]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
  • 2-[[(2r)-1-[[(2s)-1-[(6-carbamimidoylpyridin-3-yl)methylamino]-1-oxo-propan-2-yl]-methyl-amino]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
  • 2-[[(2r)-1-[[(2s)-1-[(6-carbamimidoylpyridin-3-yl)methylamino]-1-oxopropan-2-yl]-methylamino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
  • na9
InChIKey XVBUQSSETBYPJB-KBXCAEBGSA-N
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