N-(2,4,6-Trinitrophenyl)-D-Tyrosyl-L-Valylglycine

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Properties Simple | Detailed

Formula C22H24N6O11
IUPAC Name 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methyl-butanoyl]amino]acetic acid
Molecular Mass 548.460 g·mol−1
Heat of Formation -874.5 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 599.2 Å 3
Surface Area 461.05 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-trinitrophenyl-tyrosyl-valyl-glycine
  • 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-1-oxo-2-[(2,4,6-trinitrophenyl)amino]propyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid
  • 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-2-[(2,4,6-trinitrophenyl)amino]propanoyl]amino]-3-methyl-butanoyl]amino]acetic acid
  • 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-2-[(2,4,6-trinitrophenyl)amino]propanoyl]amino]-3-methyl-butanoyl]amino]ethanoic acid
  • 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-2-[(2,4,6-trinitrophenyl)amino]propanoyl]amino]-3-methylbutanoyl]amino]acetic acid
  • tnp-tyr-val-gly
CAS Number(s)
  • 114043-34-4
InChIKey WIHLYNPLPOZMMA-BEFAXECRSA-N
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