5-{[(5S)-6-{[(2S)-1-Carboxy-3-Oxo-2-Butanyl]Amino}-6-Oxo-5-Phenylhexyl]Sulfamoyl}-2-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C24H28N2O9S
IUPAC Name 5-[[(5s)-6-[[(1s)-1-(carboxymethyl)-2-oxo-propyl]amino]-6-oxo-5-phenyl-hexyl]sulfamoyl]-2-hydroxy-benzoic acid
Molecular Mass 520.552 g·mol−1
Heat of Formation -1558.4 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 593.55 Å 3
Surface Area 503.89 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-5-[[(5s)-6-[[(3s)-1-hydroxy-1,4-dioxo-pentan-3-yl]amino]-6-oxo-5-phenyl-hexyl]sulfamoyl]benzoic acid
  • 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
  • 5-[[(5s)-6-[[(1s)-1-acetyl-3-hydroxy-3-keto-propyl]amino]-6-keto-5-phenyl-hexyl]sulfamoyl]-2-hydroxy-benzoic acid
  • 5-[[(5s)-6-[[(1s)-1-acetyl-3-hydroxy-3-oxo-propyl]amino]-6-oxo-5-phenyl-hexyl]sulfamoyl]-2-hydroxy-benzoic acid
  • 5-[[(5s)-6-[[(1s)-1-acetyl-3-hydroxy-3-oxopropyl]amino]-6-oxo-5-phenylhexyl]sulfamoyl]-2-hydroxybenzoic acid
  • 5ph
InChIKey PBZHVFMSQSBSIF-ICSRJNTNSA-N
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