N,β,β-Trimethyl-L-Tryptophyl-N-[(3S,4E)-5-Carboxy-2-Methyl-4-Hexen-3-Yl]-N,3-Dimethyl-L-Valinamide

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Properties Simple | Detailed

Formula C29H44N4O4
IUPAC Name (e,4s)-4-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid
Molecular Mass 512.684 g·mol−1
Heat of Formation -824.8 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 657.99 Å 3
Surface Area 458.83 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-3-methyl-2-methylamino-1-oxobutyl]amino]-3,3-dimethyl-1-oxobutyl]-methylamino]-2,5-dimethylhex-2-enoic acid
  • (e,4s)-4-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-3-methyl-2-methylamino-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid
  • (e,4s)-4-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-3-methyl-2-methylaminobutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
InChIKey CWGCIGQBFBEZLP-AULKDKKBSA-N
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