N-[(2Z)-2-Acetamido-3-(2-Thienyl)-2-Propenoyl]-L-Tyrosine

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Formula C18H18N2O5S
IUPAC Name (2s)-2-[[(z)-2-acetamido-3-(2-thienyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 374.411 g·mol−1
Heat of Formation -681.7 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 436.52 Å 3
Surface Area 360.76 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(z)-2-acetamido-1-oxo-3-(2-thienyl)prop-2-enyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[(z)-2-acetamido-3-(2-thienyl)acryloyl]amino]-3-(4-hydroxyphenyl)propionic acid
  • (2s)-2-[[(z)-2-acetamido-3-(2-thienyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[(z)-2-acetamido-3-thiophen-2-yl-prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • acetyldehydro-3-(2-thienyl)-ala-tyr
  • acetyldehydro-3-(2-thienyl)alanyltyrosine
  • l-tyrosine, n-(n-acetyl-2,3-didehydro-3-(2-thienyl)alanyl)-
  • n-(2-acetylamino-3-(2-thienyl)-2-propenoyl)tyrosine
CAS Number(s)
  • 68762-78-7
InChIKey FJPSVDIQXPBFGT-IZNAZMGOSA-N
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