N-[(5S)-5-Amino-5-Carboxypentanoyl]-L-Cysteinyl-D-Alanine

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Properties Simple | Detailed

Formula C12H21N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 335.377 g·mol−1
Heat of Formation -1200.7 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 394.69 Å 3
Surface Area 353.72 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-1-methyl-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(2r)-1-hydroxy-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(2r)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
  • delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine
  • w05
InChIKey SYXVLKYCLDJBRU-CSMHCCOUSA-N
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