ChemSpider 2D Image | Nalpha-(2-{[(1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl)(hydroxy)phosphoryl]methyl}-5-phenylpentanoyl)tryptophanamide | C39H43N4O6P

Nα-(2-{[(1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl)(hydroxy)phosphoryl]methyl}-5-phenylpentanoyl)tryptophanamide

  • Molecular FormulaC39H43N4O6P
  • Average mass694.756 Da
  • Monoisotopic mass694.291992 Da
  • ChemSpider ID2594599

More details:

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

Carbamic acid, N-[1-[[2-[[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-5-phenylpentyl]hydroxyphosphinyl]-2-phenylethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-(2-{[(1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl)(hydroxy)phosphoryl]methyl}-5-phenylpentanoyl)tryptophanamid [German] [ACD/IUPAC Name]
Nα-(2-{[(1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl)(hydroxy)phosphoryl]methyl}-5-phenylpentanoyl)tryptophanamide [ACD/IUPAC Name]
Nα-(2-{[(1-{[(Benzyloxy)carbonyl]amino}-2-phényléthyl)(hydroxy)phosphoryl]méthyl}-5-phénylpentanoyl)tryptophaneamide [French] [ACD/IUPAC Name]
(1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid
2-((1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-5-phenylpentyl(1-(benzyloxycarbonyl)-2-phenylethyl)phosphinic acid
CHEMBL115774

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1055.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.9±3.0 kJ/mol
Flash Point: 592.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 23.89
ACD/KOC (pH 5.5): 60.42
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 8.77
Polar Surface Area: 173 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 540.2±3.0 cm3

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