ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-[(3S)-1-(benzylsulfonyl)-5-phenyl-3-pentanyl]-L-phenylalaninamide | C35H38N2O5S

Nα-[(Benzyloxy)carbonyl]-N-[(3S)-1-(benzylsulfonyl)-5-phenyl-3-pentanyl]-L-phenylalaninamide

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID4451498

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-oxo-1-(phenylmethyl)-2-[[(1S)-3-phenyl-1-[2-[(phenylmethyl)sulfonyl]ethyl]propyl]amino]ethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-[(3S)-1-(benzylsulfonyl)-5-phenyl-3-pentanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(3S)-1-(benzylsulfonyl)-5-phenyl-3-pentanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(3S)-1-(benzylsulfonyl)-5-phényl-3-pentanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
VS2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 852.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 469.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 169.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14186.63
ACD/KOC (pH 5.5): 32621.40
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14181.65
ACD/KOC (pH 7.4): 32609.94
Polar Surface Area: 110 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 492.9±3.0 cm3

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