ChemSpider 2D Image | N~2~-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine | C22H31N5O5

N2-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine

  • Molecular FormulaC22H31N5O5
  • Average mass445.512 Da
  • Monoisotopic mass445.232513 Da
  • ChemSpider ID25060819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Lysine, N2-[(2S)-2-[[1-[(4-carboxyphenyl)methyl]-1H-1,2,3-triazol-4-yl]methyl]-3-methyl-1-oxobutyl]- [ACD/Index Name]
N2-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysin [German] [ACD/IUPAC Name]
N2-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine [ACD/IUPAC Name]
N2-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-triazol-4-yl]méthyl}-3-méthylbutanoyl]-L-lysine [French] [ACD/IUPAC Name]
D38

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 335.8±7.0 cm3

Click to predict properties on the Chemicalize site


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