(2S)-2-Aminopropyl N~2~-{[2-(2-Naphthyl)-1H-Benzo[G]Indol-3-Yl]Acetyl}-L-Lysinate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H13N4O3
IUPAC Name 5-[[1-[7-ethynyl-6-methyl-2-(4-nitrosophenyl)indol-1-ium-3-yl]-2-oxo-vinyl]amino]penta-2,4-diynenitrile; formaldehyde
Molecular Mass 417.396 g·mol−1
Heat of Formation -251.4 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 666.77 Å 3
Surface Area 549.54 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-amino-2-[[2-[2-(2-naphthyl)-1h-benzo[g]indol-3-yl]-1-oxoethyl]amino]hexanoic acid [(2s)-2-aminopropyl] ester
  • (2s)-6-amino-2-[[2-[2-(2-naphthyl)-1h-benzo[g]indol-3-yl]acetyl]amino]hexanoic acid [(2s)-2-aminopropyl] ester
  • [(2s)-2-aminopropyl] (2s)-6-amino-2-[2-(2-naphthalen-2-yl-1h-benzo[g]indol-3-yl)ethanoylamino]hexanoate
  • [(2s)-2-aminopropyl] (2s)-6-amino-2-[[2-(2-naphthalen-2-yl-1h-benzo[g]indol-3-yl)acetyl]amino]hexanoate
  • [(2s)-2-aminopropyl] (2s)-6-amino-2-[[2-[2-(2-naphthyl)-1h-benzo[g]indol-3-yl]acetyl]amino]hexanoate
  • l-817,818
InChIKey NFVRGDRCCNEGBS-LGGPFLRQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N