(3S)-3-Amino-5-{[(1S)-1-Carboxyethyl]Amino}-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C8H14N2O5
IUPAC Name (3s)-3-amino-5-[[(1s)-1-carboxyethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 218.207 g·mol−1
Heat of Formation -1016.6 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 255.92 Å 3
Surface Area 247.54 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-5-[[(1s)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (3s)-3-amino-5-[[(1s)-2-hydroxy-1-methyl-2-oxoethyl]amino]-5-oxopentanoic acid
  • (3s)-3-amino-5-[[(1s)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid
  • (3s)-3-amino-5-[[(2s)-1-hydroxy-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (3s)-3-amino-5-[[(2s)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • beta-aminoglutarylalanine
  • d-beta-aminoglutaryl-ala
  • pentanoic acid, 3-amino-5-((1-carboxyethyl)amino)-5-oxo-, (s-(r*,r*))-
CAS Number(s)
  • 124756-83-8
InChIKey VBMGKLUUUVOQQN-WHFBIAKZSA-N
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