(2E)-2-({(2S)-2-Carboxy-2-[(Phenoxyacetyl)Amino]Ethoxy}Imino)Pentanedioic Acid

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Properties Simple | Detailed

Formula C16H18N2O9
IUPAC Name (2e)-2-[(2s)-2-carboxy-2-[(2-phenoxyacetyl)amino]ethoxy]iminopentanedioic acid
Molecular Mass 382.322 g·mol−1
Heat of Formation -1364.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 420.58 Å 3
Surface Area 374.16 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[(2s)-3-hydroxy-3-keto-2-[[2-(phenoxy)acetyl]amino]propoxy]iminoglutaric acid
  • (2e)-2-[(2s)-3-hydroxy-3-oxo-2-[2-(phenoxy)ethanoylamino]propoxy]iminopentanedioic acid
  • (2e)-2-[(2s)-3-hydroxy-3-oxo-2-[[1-oxo-2-(phenoxy)ethyl]amino]propoxy]iminopentanedioic acid
  • (2e)-2-[(2s)-3-hydroxy-3-oxo-2-[[2-(phenoxy)acetyl]amino]propoxy]iminopentanedioic acid
  • pl7
InChIKey LDNKNKRRFZRLIG-HWQJWEFDSA-N
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