ChemSpider 2D Image | N-(1-{[1-(Benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]amino}-4-methyl-1-oxo-2-pentanyl)-Nalpha-(3-carboxypropanoyl)phenylalaninamide | C35H41N3O6S

N-(1-{[1-(Benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]amino}-4-methyl-1-oxo-2-pentanyl)-Nα-(3-carboxypropanoyl)phenylalaninamide

  • Molecular FormulaC35H41N3O6S
  • Average mass631.781 Da
  • Monoisotopic mass631.271606 Da
  • ChemSpider ID3392233

More details:

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

Leucinamide, N-(3-carboxy-1-oxopropyl)phenylalanyl-N-[2-oxo-1-(phenylmethyl)-2-[(phenylmethyl)thio]ethyl]- [ACD/Index Name]
N-(1-{[1-(Benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]amino}-4-methyl-1-oxo-2-pentanyl)-Nα-(3-carboxypropanoyl)phenylalaninamid [German] [ACD/IUPAC Name]
N-(1-{[1-(Benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]amino}-4-methyl-1-oxo-2-pentanyl)-Nα-(3-carboxypropanoyl)phenylalaninamide [ACD/IUPAC Name]
N-(1-{[1-(Benzylsulfanyl)-1-oxo-3-phényl-2-propanyl]amino}-4-méthyl-1-oxo-2-pentanyl)-Nα-(3-carboxypropanoyl)phénylalaninamide [French] [ACD/IUPAC Name]
3-({1-[(1-{[1-(BENZYLSULFANYL)-1-OXO-3-PHENYLPROPAN-2-YL]CARBAMOYL}-3-METHYLBUTYL)CARBAMOYL]-2-PHENYLETHYL}CARBAMOYL)PROPANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 936.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.1±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 174.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 196.30
ACD/KOC (pH 5.5): 769.13
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 12.12
Polar Surface Area: 167 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 516.3±3.0 cm3

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