N-[(2R)-2-{[(2R)-2-Amino-2-Carboxyethyl]Amino}-2-Carboxyethyl]-L-Aspartic Acid

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Formula C10H17N3O8
IUPAC Name (2s)-2-[[(2r)-2-[[(2r)-2-amino-2-carboxy-ethyl]amino]-2-carboxy-ethyl]amino]butanedioic acid
Molecular Mass 307.257 g·mol−1
Heat of Formation -1503.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 342.77 Å 3
Surface Area 294.84 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]amino]-3-hydroxy-3-keto-propyl]amino]succinic acid
  • (2s)-2-[[(2r)-2-[[(2r)-2-amino-3-hydroxy-3-oxo-propyl]amino]-3-hydroxy-3-oxo-propyl]amino]butanedioic acid
  • (2s)-2-[[(2r)-2-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]amino]-3-hydroxy-3-oxopropyl]amino]butanedioic acid
  • (r-(r*,r*))-n-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-l-aspartic acid
  • aspartic acid, n-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-, d- (7ci,8ci)
  • aspergillomarasmine a
  • l-aspartic acid, n-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-, (r-(r*,r*))-
  • toxin c (pyrenophora teres)
CAS Number(s)
  • 3484-65-9
InChIKey XFTWUNOVBCHBJR-NGJCXOISSA-N
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