S-(4-Bromobenzyl)-N-(4-Carboxybutanoyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H21BrN2O6S
IUPAC Name 5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 461.327 g·mol−1
Heat of Formation -1071.7 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 494.35 Å 3
Surface Area 402.19 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • 5-[[(1r)-1-[[(4-bromobenzyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • 5-[[(1r)-1-[[(4-bromophenyl)methylthio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • 5-[[(2r)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • glutaryl-s-(4-bromobenzyl)cysteinylglycine
  • glutaryl-s-(p-bromobenzyl)-cys-gly
  • glutaryl-s-(p-bromobenzyl)-l-cysteinylglycine
  • glutaryl-s-(p-bromobenzyl)cysteinylglycine
  • glycine, n-(s-((4-bromophenyl)methyl)-n-(4-carboxy-1-oxobutyl)-l-cysteinyl)-
CAS Number(s)
  • 42583-87-9
InChIKey YNOWLAGOASVJPR-ZDUSSCGKSA-N
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Elements C H O N S Br