ChemSpider 2D Image | 1-(N~6~-[(Benzyloxy)carbonyl]-N~6~-isopropyl-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl)-3-piperidinecarboxylic acid | C28H43N3O7

1-(N6-[(Benzyloxy)carbonyl]-N6-isopropyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl)-3-piperidinecarboxylic acid

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID8545280

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-(N6-[(Benzyloxy)carbonyl]-N6-isopropyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl)-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-(N6-[(Benzyloxy)carbonyl]-N6-isopropyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl)-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[(1-methylethyl)[(phenylmethoxy)carbonyl]amino]-1-oxohexyl]- [ACD/Index Name]
Acide 1-(N6-[(benzyloxy)carbonyl]-N6-isopropyl-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-lysyl)-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 52.71
ACD/KOC (pH 5.5): 287.12
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 125 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 456.6±3.0 cm3

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