S-{2-[(4-Fluorophenyl)(Isopropyl)Amino]-2-Oxoethyl}-L-Cysteine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19FN2O3S
IUPAC Name (2r)-2-amino-3-[2-(4-fluoro-n-isopropyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid
Molecular Mass 314.376 g·mol−1
Heat of Formation -673.9 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 375.58 Å 3
Surface Area 326.21 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[2-[(4-fluorophenyl)-isopropyl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid
  • (2r)-2-amino-3-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid
  • (2r)-2-amino-3-[2-[(4-fluorophenyl)-propan-2-ylamino]-2-oxoethyl]sulfanylpropanoic acid
  • (2r)-2-amino-3-[[2-[(4-fluorophenyl)-isopropyl-amino]-2-keto-ethyl]thio]propionic acid
  • (2r)-2-amino-3-[[2-[(4-fluorophenyl)-isopropylamino]-2-oxoethyl]thio]propanoic acid
  • 2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide
  • foe
InChIKey NYVPFDRTSVHZRO-LBPRGKRZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S