ChemSpider 2D Image | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide | C38H49N5O8

N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide

  • Molecular FormulaC38H49N5O8
  • Average mass703.824 Da
  • Monoisotopic mass703.358093 Da
  • ChemSpider ID393262

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl- [ACD/Index Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-L-phénylalanyl-L-α-glutamyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide
0ZT
Boc-Phe[CH(OH)CH2NH]Phe-Glu-Phe-NH2
Boc-Phe-ψ[S-CH(OH)CH2NH]Phe-Glu-Phe-NH2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL386563/
N-{(2S,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-α-glutamyl-L-phenylalaninamide

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

AIDS057820 [DBID]
AIDS-057820 [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: 1021.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.3±3.0 kJ/mol
Flash Point: 571.7±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 568.6±3.0 cm3

Click to predict properties on the Chemicalize site


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