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Search term: AWPLYTCEHNMVNJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N~2~-{[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | C19H26IN3O6S

N2-{[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine

  • Molecular FormulaC19H26IN3O6S
  • Average mass551.396 Da
  • Monoisotopic mass551.058716 Da
  • ChemSpider ID24645777

  • 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-3-(methylthio)propyl]amino]carbonyl]-N6-(4-iodobenzoyl)- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N6-(4-iodbenzoyl)-L-lysin [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-3-(méthylsulfanyl)propyl]carbamoyl}-N6-(4-iodobenzoyl)-L-lysine [French] [ACD/IUPAC Name]
JRG

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

Density: 1.6±0.1 g/cm3
Boiling Point: 830.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.8±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 352.2±3.0 cm3

Click to predict properties on the Chemicalize site


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