N~6~-[(2R)-1-{[(1R)-1-Carboxy-2-Propen-1-Yl]Amino}-1-Oxo-3-Sulfanyl-2-Propanyl]-6-Oxo-L-Lysine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyallyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 347.387 g·mol−1
Heat of Formation -1091.0 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 414.53 Å 3
Surface Area 378.0 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-[[(5s)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-3-mercapto-propanoyl]amino]but-3-enoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyprop-2-enyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyprop-2-enyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(2r)-1-hydroxy-1-oxo-but-3-en-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-oxobut-3-en-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
  • delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
InChIKey JJJCGQKXGIRXKN-YIZRAAEISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N