Nalpha-Methyl-Nalpha-(3-Methylbutyl)-N-[(2S)-2-{[(2-Phenyl-1H-Imidazol-5-Yl)Carbonyl]Amino}Propanoyl]-D-Tryptophanamide

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Properties Simple | Detailed

Formula C30H36N6O3
IUPAC Name n-[(1s)-2-[[(2r)-3-indol-3-yl-2-[isopentyl(methyl)amino]propanoyl]amino]-1-methyl-2-oxo-ethyl]-2-phenyl-imidazol-3-ium-4-ylium-4-carboxamide
Molecular Mass 528.645 g·mol−1
Heat of Formation -227.5 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 659.25 Å 3
Surface Area 550.64 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • gr 112,000
  • gr 112000
  • n-[(1s)-2-[[(2r)-3-(1h-indol-3-yl)-2-(isoamyl-methyl-amino)propanoyl]amino]-2-keto-1-methyl-ethyl]-2-phenyl-3h-imidazole-4-carboxamide
  • n-[(1s)-2-[[(2r)-3-(1h-indol-3-yl)-2-(isopentyl-methyl-amino)propanoyl]amino]-1-methyl-2-oxo-ethyl]-2-phenyl-3h-imidazole-4-carboxamide
  • n-[(1s)-2-[[(2r)-3-(1h-indol-3-yl)-2-(isopentyl-methylamino)-1-oxopropyl]amino]-1-methyl-2-oxoethyl]-2-phenyl-3h-imidazole-4-carboxamide
  • n-[(2s)-1-[[(2r)-3-(1h-indol-3-yl)-2-(methyl-(3-methylbutyl)amino)propanoyl]amino]-1-oxo-propan-2-yl]-2-phenyl-3h-imidazole-4-carboxamide
  • n-[(2s)-1-[[(2r)-3-(1h-indol-3-yl)-2-(methyl-(3-methylbutyl)amino)propanoyl]amino]-1-oxopropan-2-yl]-2-phenyl-3h-imidazole-4-carboxamide
CAS Number(s)
  • 150351-90-9
InChIKey PGQAWGUJYNECHG-RXFWQSSRSA-N
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