N-({[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy}Acetyl)-L-Tyrosylglycinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H27N5O5
IUPAC Name (2s)-2-[[2-[3-(2-aminoethyl)indol-1-ium-5-yl]oxyacetyl]amino]-n-(2-amino-2-oxo-ethyl)-3-(4-hydroxyphenyl)propanamide
Molecular Mass 453.491 g·mol−1
Heat of Formation -623.0 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 544.18 Å 3
Surface Area 483.79 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]ethanoylamino]-n-(2-amino-2-oxo-ethyl)-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-[[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]-1-oxoethyl]amino]-n-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-[[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]acetyl]amino]-n-(2-amino-2-keto-ethyl)-3-(4-hydroxyphenyl)propionamide
  • (2s)-2-[[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]acetyl]amino]-n-(2-amino-2-oxo-ethyl)-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-[[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]acetyl]amino]-n-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
  • is 159
CAS Number(s)
  • 133790-13-3
InChIKey PBRWGFLPYQYNGI-FQEVSTJZSA-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