N-{[1-(5-Methoxy-2-Pyridinyl)Cyclohexyl]Methyl}-α-Methyl-Nalpha-[(4-Nitrophenyl)Carbamoyl]-L-Tryptophanamide

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Properties Simple | Detailed

Formula C32H37N6O5
IUPAC Name (2s)-3-(6h-indol-1-ium-6-id-3-yl)-n-[[1-(5-methoxy-3h-pyridin-1-ium-3-id-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Molecular Mass 585.673 g·mol−1
Heat of Formation -289.4 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 698.57 Å 3
Surface Area 515.21 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(1h-indol-3-yl)-n-[[1-(5-methoxy-2-pyridyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
  • (2s)-3-(1h-indol-3-yl)-n-[[1-(5-methoxy-2-pyridyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propionamide
  • (2s)-3-(1h-indol-3-yl)-n-[[1-(5-methoxy-2-pyridyl)cyclohexyl]methyl]-2-methyl-2-[[[(4-nitrophenyl)amino]-oxomethyl]amino]propanamide
  • (2s)-3-(1h-indol-3-yl)-n-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
InChIKey NNFUWNLENRUDHR-HKBQPEDESA-N
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