5-(L-γ-Glutamylamino)-2-Nitrobenzoic Acid

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Properties Simple | Detailed

Formula C12H13N3O7
IUPAC Name 5-[[(4s)-4-amino-4-carboxy-butanoyl]amino]-2-nitro-benzoic acid
Molecular Mass 311.248 g·mol−1
Heat of Formation -859.0 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 339.25 Å 3
Surface Area 305.12 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid
  • 5-[[(4s)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-2-nitrobenzoic acid
  • 5-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-2-nitro-benzoic acid
  • 5-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-2-nitro-benzoic acid
  • 5-[[(4s)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-2-nitrobenzoic acid
  • benzoic acid, 5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitro-, (s)-
CAS Number(s)
  • 53602-84-9
InChIKey AHFFWTMLFDZSOF-QMMMGPOBSA-N
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