N-[(4S)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H24BrN3O6S
IUPAC Name [(2s)-5-[[(2r)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-hydroxy-1,5-dioxopentan-2-yl]azanium
Molecular Mass 478.358 g·mol−1
Heat of Formation -1053.9 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 508.84 Å 3
Surface Area 423.2 Å 2
Point Group Symmetry C1
Synonyms
  • [(1s)-4-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-1-carboxy-4-oxo-butyl]ammonium
  • [(1s)-4-[[(1r)-1-[[(4-bromobenzyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-1-carboxy-4-keto-butyl]ammonium
  • [(1s)-4-[[(1r)-1-[[(4-bromophenyl)methylthio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-1-carboxy-4-oxobutyl]ammonium
  • [(2s)-5-[[(2r)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-1-hydroxy-1,5-dioxo-pentan-2-yl]azanium
InChIKey HMNYAPVDRLKBJH-STQMWFEESA-O
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Elements C H O N S Br