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

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Formula C31H34N6O4
IUPAC Name (2s)-3-(1h-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-n-[[1-(2-pyridyl)cyclohexyl]methyl]propanamide
Molecular Mass 554.639 g·mol−1
Heat of Formation -136.3 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 663.22 Å 3
Surface Area 487.54 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(1h-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-n-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
  • (2s)-3-(1h-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-n-[[1-(2-pyridyl)cyclohexyl]methyl]propanamide
  • (2s)-3-(1h-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-n-[[1-(2-pyridyl)cyclohexyl]methyl]propionamide
  • (2s)-3-(1h-indol-3-yl)-2-methyl-2-[[[(4-nitrophenyl)amino]-oxomethyl]amino]-n-[[1-(2-pyridyl)cyclohexyl]methyl]propanamide
InChIKey AFDXUTWMFMAQJO-PMERELPUSA-N
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