ChemSpider 2D Image | N~2~-{[(1S)-1-Carboxy-2-(4-pyridinyl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | C22H25IN4O6

N2-{[(1S)-1-Carboxy-2-(4-pyridinyl)ethyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine

  • Molecular FormulaC22H25IN4O6
  • Average mass568.362 Da
  • Monoisotopic mass568.081848 Da
  • ChemSpider ID24646437

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Lysine, N2-[[[(1S)-1-carboxy-2-(4-pyridinyl)ethyl]amino]carbonyl]-N6-(4-iodobenzoyl)- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-2-(4-pyridinyl)ethyl]carbamoyl}-N6-(4-iodbenzoyl)-L-lysin [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-(4-pyridinyl)ethyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-(4-pyridinyl)éthyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [French] [ACD/IUPAC Name]
N2-{[(1s)-1-Carboxy-2-(Pyridin-4-Yl)ethyl]carbamoyl}-N6-(4-Iodobenzoyl)-L-Lysine
(S)-2-(3-((S)-1-Carboxy-2-(pyridin-4-yl)ethyl)ureido)-6-(4-iodobenzamido)hexanoic acid
2QN

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

Density: 1.6±0.1 g/cm3
Boiling Point: 857.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.5±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

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