ChemSpider 2D Image | tert-butyl (betaS)-N-{[1-(cyclohexylcarbamoyl)piperidin-3-yl]carbonyl}-beta-methyltryptophyl-L-lysinate | C35H54N6O5

tert-butyl (βS)-N-{[1-(cyclohexylcarbamoyl)piperidin-3-yl]carbonyl}-β-methyltryptophyl-L-lysinate

  • Molecular FormulaC35H54N6O5
  • Average mass638.841 Da
  • Monoisotopic mass638.415588 Da
  • ChemSpider ID23211119

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(βS)-N-{[1-(Cyclohexylcarbamoyl)-3-pipéridinyl]carbonyl}-β-méthyltryptophyl-L-lysinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (βS)-N-{[1-(cyclohexylcarbamoyl)-3-piperidinyl]carbonyl}-β-methyltryptophyl-L-lysinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(βS)-N-{[1-(cyclohexylcarbamoyl)-3-piperidinyl]carbonyl}-β-methyltryptophyl-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, (βS)-N-[[1-[(cyclohexylamino)carbonyl]-3-piperidinyl]carbonyl]-β-methyltryptophyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl (βS)-N-{[1-(cyclohexylcarbamoyl)piperidin-3-yl]carbonyl}-β-methyltryptophyl-L-lysinate
(S)-6-Amino-2-[(S)-2-[(1-cyclohexylcarbamoyl-piperidine-3-carbonyl)-amino]-3-(1H-indol-3-yl)-butyrylamino]-hexanoic acid tert-butyl ester
CHEMBL336308

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

Density: 1.2±0.1 g/cm3
Boiling Point: 907.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 502.6±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 179.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 4.62
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 10.06
Polar Surface Area: 159 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 532.8±5.0 cm3

Click to predict properties on the Chemicalize site


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