N-Acetyl-S-(3-Methyl-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)-L-Cysteine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H15NO5S
IUPAC Name (2r)-2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid
Molecular Mass 333.359 g·mol−1
Heat of Formation -696.7 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 373.42 Å 3
Surface Area 321.51 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(3-methyl-1,4-dioxo-naphthalen-2-yl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(1,4-diketo-3-methyl-2-naphthyl)thio]propionic acid
  • (2r)-2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid
  • (2r)-2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthyl)thio]propanoic acid
  • 2-methyl-3-(n-acetylcystein-s-yl)-1,4-naphthoquinone
  • l-cysteine, n-acetyl-s-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-
  • masynq
CAS Number(s)
  • 39484-05-4
InChIKey CZCOZSQOAXORPX-LBPRGKRZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N