ChemSpider 2D Image | N~6~-[(Benzyloxy)carbonyl]-N~2~-{[1-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)cyclopentyl]carbonyl}-D-lysine | C36H43N3O7

N6-[(Benzyloxy)carbonyl]-N2-{[1-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)cyclopentyl]carbonyl}-D-lysine

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID9149412

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Lysine, N2-[[1-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]cyclopentyl]carbonyl]-N6-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N6-[(Benzyloxy)carbonyl]-N2-{[1-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)cyclopentyl]carbonyl}-D-lysin [German] [ACD/IUPAC Name]
N6-[(Benzyloxy)carbonyl]-N2-{[1-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)cyclopentyl]carbonyl}-D-lysine [ACD/IUPAC Name]
N6-[(Benzyloxy)carbonyl]-N2-{[1-(4-{2-[(3,5-diméthylphényl)amino]-2-oxoéthyl}phénoxy)cyclopentyl]carbonyl}-D-lysine [French] [ACD/IUPAC Name]
(2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[1-(4-{[(3,5-dimethylphenyl)carbamoyl]methyl}phenoxy)cyclopentyl]formamido}hexanoic acid
6-Benzyloxycarbonylamino-2-[(1-{4-[(3,5-dimethyl-phenylcarbamoyl)-methyl]-phenoxy}-cyclopentanecarbonyl)-amino]-hexanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL277764/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 898.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 497.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 37.53
ACD/KOC (pH 5.5): 118.42
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 4.08
Polar Surface Area: 143 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 506.6±3.0 cm3

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