S-[4-(Dimethylamino)Benzyl]-N-[(2S)-2-Methyl-3-Sulfanylpropanoyl]-L-Cysteine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H24N2O3S2
IUPAC Name (2r)-3-[[4-(dimethylamino)phenyl]methylsulfanyl]-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
Molecular Mass 356.503 g·mol−1
Heat of Formation -518.3 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 433.63 Å 3
Surface Area 362.68 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-[(4-dimethylaminobenzyl)thio]-2-[[(2s)-3-mercapto-2-methyl-propanoyl]amino]propionic acid
  • (2r)-3-[(4-dimethylaminophenyl)methylsulfanyl]-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
  • (2r)-3-[(4-dimethylaminophenyl)methylsulfanyl]-2-[[(2s)-2-methyl-3-sulfanylpropanoyl]amino]propanoic acid
  • (2r)-3-[(4-dimethylaminophenyl)methylthio]-2-[[(2s)-3-mercapto-2-methyl-1-oxopropyl]amino]propanoic acid
InChIKey HLSVAMGQMKPXOP-RISCZKNCSA-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