Methyl N-Acryloyl-N-2-Furyl-L-Tryptophanate

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Properties Simple | Detailed

Formula C19H18N2O4
IUPAC Name methyl (2s)-2-[2-furyl(prop-2-enoyl)amino]-3-indol-1-ium-3-yl-propanoate
Molecular Mass 338.357 g·mol−1
Heat of Formation -281.8 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 400.37 Å 3
Surface Area 336.02 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-furyl-(1-oxoprop-2-enyl)amino)-3-(1h-indol-3-yl)propanoic acid methyl ester
  • (2s)-2-(acryloyl-(2-furyl)amino)-3-(1h-indol-3-yl)propionic acid methyl ester
  • l-tryptophan, n-(3-(2-furanyl)-1-oxo-2-propenyl)-, methyl ester
  • methyl (2s)-2-(2-furyl-prop-2-enoyl-amino)-3-(1h-indol-3-yl)propanoate
  • methyl (2s)-2-(furan-2-yl-prop-2-enoyl-amino)-3-(1h-indol-3-yl)propanoate
  • methyl (2s)-2-(furan-2-yl-prop-2-enoylamino)-3-(1h-indol-3-yl)propanoate
  • n-(2-furyl)acryloyl-l-tryptophan methyl ester
CAS Number(s)
  • 22875-19-0
  • 26109-48-8
InChIKey KVJVMCNDKLPWJO-INIZCTEOSA-N
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