ChemSpider 2D Image | N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide | C38H49N5O7

N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide

  • Molecular FormulaC38H49N5O7
  • Average mass687.825 Da
  • Monoisotopic mass687.363220 Da
  • ChemSpider ID394238

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl- [ACD/Index Name]
N-[(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(3S)-3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-L-phénylalanyl-L-α-glutamyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide
0ZQ
Boc-Phe[CHCH2NH]Phe-Glu-Phe-NH2
Boc-Phe-ψ[CH2CH2NH]Phe-Glu-Phe-NH2
N-{(3S)-3-[(tert-Butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-a-glutamyl-L-phenylalaninamide
OE

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

AIDS057711 [DBID]
AIDS-057711 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 988.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 551.5±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 189.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 8.55
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 189 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 570.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement