Hemiasterlin C

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Properties Simple | Detailed

Formula C29H44N4O4
IUPAC Name (e,4s)-2,5-di(methyl)-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(methylamino)-3-(1-methyl-6h-indol-1-ium-7a-ylium-6-id-3-yl)butanoyl]amino]butanoyl]amino]hex-2-enoate
Molecular Mass 512.684 g·mol−1
Heat of Formation -803.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 668.88 Å 3
Surface Area 456.55 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-2,5-dimethyl-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methyl-3-indolyl)-1-oxobutyl]amino]-1-oxobutyl]amino]hex-2-enoic acid
  • (e,4s)-2,5-dimethyl-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]amino]hex-2-enoic acid
InChIKey XLMQHOWHUACFMZ-OMZRSGGISA-N
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