(2S)-2-[({5-[4-(Dimethylsulfamoyl)Phenyl]-8-Methyl-2-Oxo-6,7,8,9-Tetrahydro-2H-Pyrrolo[3,2-H]Isoquinolin-3-Yl}Amino)Oxy]-4-Hydroxybutanoic Acid

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Properties Simple | Detailed

Formula C24H28N4O7S
IUPAC Name (2s)-2-[[(8r)-5-[4-(dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-7,9-dihydro-6h-pyrrolo[3,2-h]isoquinolin-3-yl]amino]oxy-4-hydroxy-butanoic acid
Molecular Mass 516.567 g·mol−1
Heat of Formation -820.7 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 580.87 Å 3
Surface Area 499.27 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-[4-(dimethylsulfamoyl)phenyl]-2-keto-8-methyl-7,9-dihydro-6h-pyrido[4,3-g]indol-3-yl]amino]oxy-4-hydroxy-butyric acid
  • (2s)-2-[[5-[4-(dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-7,9-dihydro-6h-pyrido[4,3-g]indol-3-yl]amino]oxy-4-hydroxy-butanoic acid
InChIKey CFJRSKULEDUDKL-FQEVSTJZSA-N
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