N-{[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethoxy]Acetyl}-L-Alanyl-D-Glutamic Acid

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Properties Simple | Detailed

Formula C20H23N3O9
IUPAC Name (2r)-2-[[(2s)-2-[[2-[2-(1,3-dioxoisoindolin-2-yl)ethoxy]acetyl]amino]propanoyl]amino]pentanedioic acid
Molecular Mass 449.411 g·mol−1
Heat of Formation -1546.1 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 524.92 Å 3
Surface Area 385.75 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethanoylamino]propanoyl]amino]pentanedioic acid
  • (2r)-2-[[(2s)-2-[[2-[2-(1,3-diketoisoindolin-2-yl)ethoxy]acetyl]amino]propanoyl]amino]glutaric acid
  • (2r)-2-[[(2s)-2-[[2-[2-(1,3-dioxo-2-isoindolinyl)ethoxy]-1-oxoethyl]amino]-1-oxopropyl]amino]pentanedioic acid
  • (2r)-2-[[(2s)-2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]acetyl]amino]propanoyl]amino]pentanedioic acid
  • (2r)-2-[[(2s)-2-[[2-[2-(1,3-dioxoisoindolin-2-yl)ethoxy]acetyl]amino]propanoyl]amino]pentanedioic acid
CAS Number(s)
  • 142489-47-2
InChIKey FDNPKSCZFOAEDF-SMDDNHRTSA-N
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