N~1~-(5-Aminopentyl)-N~2~-[(2,4-Dihydroxyphenyl)Acetyl]-L-Aspartamide

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Properties Simple | Detailed

Formula C17H26N4O5
IUPAC Name (2s)-n-(5-aminopentyl)-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
Molecular Mass 366.412 g·mol−1
Heat of Formation -943.0 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 468.57 Å 3
Surface Area 370.93 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(5-aminopentyl)-2-[2-(2,4-dihydroxyphenyl)ethanoylamino]butanediamide
  • (2s)-n-(5-aminopentyl)-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]butanediamide
  • (2s)-n-(5-aminopentyl)-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
  • (2s)-n-(5-aminopentyl)-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]succinamide
  • 2,4-dihydroxyphenylacetylasparaginyl cadaverine
  • dhpaac
CAS Number(s)
  • 112111-38-3
InChIKey XAMAJKAMABMMPO-ZDUSSCGKSA-N
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