L-Alanyl-3-{[(2E)-4-Amino-4-Oxo-2-Butenoyl]Amino}-L-Alanine

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Properties Simple | Detailed

Formula C10H16N4O5
IUPAC Name (2s)-3-[[(e)-4-amino-4-oxo-but-2-enoyl]amino]-2-[[(2s)-2-aminopropanoyl]amino]propanoic acid
Molecular Mass 272.258 g·mol−1
Heat of Formation -866.8 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 321.5 Å 3
Surface Area 302.98 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(alanylamino)-3-[[(e)-4-amino-4-keto-but-2-enoyl]amino]propionic acid
  • (2s)-3-[[(e)-4-amino-1,4-dioxobut-2-enyl]amino]-2-[[(2s)-2-amino-1-oxopropyl]amino]propanoic acid
  • (2s)-3-[[(e)-4-amino-4-oxo-but-2-enoyl]amino]-2-[[(2s)-2-aminopropanoyl]amino]propanoic acid
  • (2s)-3-[[(e)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2s)-2-aminopropanoyl]amino]propanoic acid
  • a 19009
  • a-19009
  • antibiotic a 19009
  • l-alanine, n-l-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (e)-
  • n-(n(3)-fumaramoyl-2,3-diaminopropanoyl)alanine
CAS Number(s)
  • 87768-72-7
InChIKey GDQNPKRTTCRUSH-KXQHVCLCSA-N
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