N-(2-Benzoylphenyl)-O-[2-(Methyl-2-Pyridinylamino)Ethyl]-L-Tyrosine

Molecule SVG Image

Properties Simple | Detailed

Formula C30H29N3O4
IUPAC Name (2s)-2-[2-[(e)-2-ethylbut-2-enoyl]anilino]-3-[4-[2-[methyl(propanimidoyl)amino]ethoxy]phenyl]propanoate
Molecular Mass 495.569 g·mol−1
Heat of Formation -279.4 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 588.36 Å 3
Surface Area 456.42 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-(2-pyridyl)amino)ethoxy]phenyl]propanoic acid
  • (2s)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-(2-pyridyl)amino)ethoxy]phenyl]propionic acid
  • (2s)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]propanoic acid
  • (2s)-3-[4-[2-(methyl-(2-pyridyl)amino)ethoxy]phenyl]-2-[[2-(oxo-phenylmethyl)phenyl]amino]propanoic acid
  • (2s)-3-[4-[2-(methyl-pyridin-2-yl-amino)ethoxy]phenyl]-2-[(2-phenylcarbonylphenyl)amino]propanoic acid
  • gw 1929
  • gw1929
  • tocris-1664
CAS Number(s)
  • 196808-24-9
InChIKey QTQMRBZOBKYXCG-MHZLTWQESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N