4-({(2S)-1-[(4-Nitrophenyl)Amino]-1-Oxo-2-Propanyl}Amino)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C13H15N3O6
IUPAC Name 4-[[(1s)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 309.275 g·mol−1
Heat of Formation -734.7 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 347.9 Å 3
Surface Area 329.65 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1s)-1-methyl-2-[(4-nitrophenyl)amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
  • 4-[[(1s)-1-methyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-4-oxobutanoic acid
  • 4-[[(2s)-1-[(4-nitrophenyl)amino]-1-oxo-propan-2-yl]amino]-4-oxo-butanoic acid
  • 4-[[(2s)-1-[(4-nitrophenyl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • 4-keto-4-[[(1s)-2-keto-1-methyl-2-[(4-nitrophenyl)amino]ethyl]amino]butyric acid
  • butanoic acid, 4-((1-methyl-2-((4-nitrophenyl)amino)-2-oxoethyl)amino)-4-oxo-, (s)-
  • suc-ala-4-nitroanilide
  • suc-ala-na
  • succinyl-alanine-4-nitroanilide
CAS Number(s)
  • 61043-65-0
InChIKey WIFDUCQVCBVJOF-QMMMGPOBSA-N
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