N,β,β,1-Tetramethyl-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 C30H40N4O4
IUPAC Name carbon dioxide; (2s)-n,3,3-trimethyl-2-[[(2s)-3-methyl-2-(methylamino)-3-(1-methyl-5h-indol-1-ium-5-id-3-yl)butanoyl]amino]-n-(1-prop-2-ynylbut-3-ynyl)butanamide
Molecular Mass 520.663 g·mol−1
Heat of Formation -788.3 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 697.34 Å 3
Surface Area 516.15 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methyl-3-indolyl)-1-oxobutyl]amino]-1-oxobutyl]-methylamino]-2,5-dimethylhex-2-enoic acid
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
  • hemiasterlin
InChIKey KQODQNJLJQHFQV-MKWZWQCGSA-N
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