ChemSpider 2D Image | N-Methylalanyl-N-[4-{[(benzyloxy)carbonyl]amino}-1-oxo-1-(1,2,3,4-tetrahydro-1-naphthalenylamino)-2-butanyl]valinamide | C31H43N5O5

N-Methylalanyl-N-[4-{[(benzyloxy)carbonyl]amino}-1-oxo-1-(1,2,3,4-tetrahydro-1-naphthalenylamino)-2-butanyl]valinamide

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID9817355

More details:

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

N-Méthylalanyl-N-[4-{[(benzyloxy)carbonyl]amino}-1-oxo-1-(1,2,3,4-tétrahydro-1-naphtalénylamino)-2-butanyl]valinamide [French] [ACD/IUPAC Name]
N-Methylalanyl-N-[4-{[(benzyloxy)carbonyl]amino}-1-oxo-1-(1,2,3,4-tetrahydro-1-naphthalenylamino)-2-butanyl]valinamide [ACD/IUPAC Name]
N-Methylalanyl-N-[4-{[(benzyloxy)carbonyl]amino}-1-oxo-1-(1,2,3,4-tetrahydro-1-naphthalinylamino)-2-butanyl]valinamid [German] [ACD/IUPAC Name]
Valinamide, N-methylalanyl-N-[3-[[(phenylmethoxy)carbonyl]amino]-1-[[(1,2,3,4-tetrahydro-1-naphthalenyl)amino]carbonyl]propyl]- [ACD/Index 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: 863.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 476.0±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 16.63
ACD/KOC (pH 7.4): 138.82
Polar Surface Area: 138 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 473.2±5.0 cm3

Click to predict properties on the Chemicalize site


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