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

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Properties Simple | Detailed

Formula C7H11N3O4
IUPAC Name (2s)-2-amino-3-[[(e)-4-amino-4-oxo-but-2-enoyl]amino]propanoic acid
Molecular Mass 201.180 g·mol−1
Heat of Formation -665.8 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 233.47 Å 3
Surface Area 230.49 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[[(e)-4-amino-1,4-dioxobut-2-enyl]amino]propanoic acid
  • (2s)-2-amino-3-[[(e)-4-amino-4-keto-but-2-enoyl]amino]propionic acid
  • (2s)-2-amino-3-[[(e)-4-amino-4-oxo-but-2-enoyl]amino]propanoic acid
  • (2s)-2-amino-3-[[(e)-4-amino-4-oxobut-2-enoyl]amino]propanoic acid
  • fcdp
  • l-alanine, 3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (e)-
  • n(beta)-fumarylcarboxyamido-2,3-diaminopropionic acid
  • nbeta-furmarylcarboxyamido-2,3-diaminopropionic acid
CAS Number(s)
  • 91235-43-7
InChIKey TXNRYTCUNXUNFH-QPHDTYRISA-N
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