N-[(2E)-3-(2-Furyl)-2-Propenoyl]-L-Alanyl-L-Lysine

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Formula C16H23N3O5
IUPAC Name (2s)-6-amino-2-[[(2s)-2-[[(e)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]hexanoic acid
Molecular Mass 337.371 g·mol−1
Heat of Formation -781.5 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 416.95 Å 3
Surface Area 385.52 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-ammonio-2-[[(2s)-2-[[(e)-3-(2-furyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]hexanoate
  • (2s)-6-ammonio-2-[[(2s)-2-[[(e)-3-(2-furyl)acryloyl]amino]propanoyl]amino]hexanoate
  • (2s)-6-azaniumyl-2-[[(2s)-2-[[(e)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]hexanoate
  • (2s)-6-azaniumyl-2-[[(2s)-2-[[(e)-3-furan-2-ylprop-2-enoyl]amino]propanoyl]amino]hexanoate
CAS Number(s)
  • 76079-03-3
InChIKey BZUABSYGNBFITP-DDOQPMFUSA-N
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