ChemSpider 2D Image | L-Alloisoleucyl-N-methyl-D-phenylalanyl-N-(2-carboxyphenyl)-L-valinamide | C28H38N4O5

L-Alloisoleucyl-N-methyl-D-phenylalanyl-N-(2-carboxyphenyl)-L-valinamide

  • Molecular FormulaC28H38N4O5
  • Average mass510.625 Da
  • Monoisotopic mass510.284210 Da
  • ChemSpider ID58196797

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alloisoleucyl-N-methyl-D-phenylalanyl-N-(2-carboxyphenyl)-L-valinamid [German] [ACD/IUPAC Name]
L-Alloisoleucyl-N-methyl-D-phenylalanyl-N-(2-carboxyphenyl)-L-valinamide [ACD/IUPAC Name]
L-Alloisoleucyl-N-méthyl-D-phénylalanyl-N-(2-carboxyphényl)-L-valinamide [French] [ACD/IUPAC Name]
L-Valinamide, L-alloisoleucyl-N-methyl-D-phenylalanyl-N-(2-carboxyphenyl)- [ACD/Index Name]
Simplicilliumtide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.0±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 142 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 426.2±3.0 cm3

Click to predict properties on the Chemicalize site


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