N-[(2E)-2-(2-Furoylamino)-4-Methyl-2-Pentenoyl]-L-Tryptophan

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Properties Simple | Detailed

Formula C22H23N3O5
IUPAC Name (2s)-2-[[(e)-2-(furan-2-carbonylamino)-4-methyl-pent-2-enoyl]amino]-3-indol-1-ium-3-yl-propanoic acid
Molecular Mass 409.435 g·mol−1
Heat of Formation -584.9 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 494.71 Å 3
Surface Area 379.73 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(e)-2-(furan-2-carbonylamino)-4-methyl-pent-2-enoyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[(e)-2-(furan-2-carbonylamino)-4-methyl-pent-2-enoyl]amino]-3-(1h-indol-3-yl)propionic acid
  • (2s)-2-[[(e)-2-(furan-2-carbonylamino)-4-methylpent-2-enoyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[(e)-2-(furan-2-ylcarbonylamino)-4-methyl-pent-2-enoyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[(e)-2-[(2-furyl-oxomethyl)amino]-4-methyl-1-oxopent-2-enyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • fur-leu-trp
  • n-(2-furoyl)-(z)-alpha,beta-didehydroleu-l-trp
  • n-(2-furoyl)-alpha,beta-didehydroleucyl-tryptophan
CAS Number(s)
  • 158114-64-8
InChIKey XYASBZZQARZCQJ-LTXFRBGYSA-N
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