N-{[(4-Methylbenzyl)Sulfanyl]Carbonyl}-L-Phenylalanine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H19NO3S
IUPAC Name (2s)-3-phenyl-2-(p-tolylmethylsulfanylcarbonylamino)propanoic acid
Molecular Mass 329.413 g·mol−1
Heat of Formation -420.1 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 407.26 Å 3
Surface Area 344.39 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoic acid
  • (2s)-2-[[(4-methylbenzyl)thio]carbonylamino]-3-phenyl-propionic acid
  • (2s)-2-[[[(4-methylphenyl)methylthio]-oxomethyl]amino]-3-phenylpropanoic acid
  • kf 1492
  • kf-1492
  • l-phenylalanine, n-((((4-methylphenyl)methyl)thio)carbonyl)-
  • n-(4-methylbenzylthiocarbonyl)-l-phenylalanine
  • n-(4-methylbenzylthiocarbonyl)phenylalanine
CAS Number(s)
  • 64905-22-2
InChIKey VZGFBWQZOIKMRJ-INIZCTEOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N