ChemSpider 2D Image | (2S)-2-{[{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | C21H33N2O6P

(2S)-2-{[{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid

  • Molecular FormulaC21H33N2O6P
  • Average mass440.470 Da
  • Monoisotopic mass440.207611 Da
  • ChemSpider ID59053865

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-{[(R)-{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid [ACD/IUPAC Name]
(2S)-2-{[(R)-{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutansäure [German] [ACD/IUPAC Name]
(2S)-2-{[{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid [ACD/IUPAC Name]
(2S)-2-{[{(1R)-1-[(N-Acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[(R)-{(1R)-1-[(N-acétyl-L-leucyl)amino]éthyl}(hydroxy)phosphoryl]méthyl}-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Acide (2S)-2-{[{(1R)-1-[(N-acétyl-L-leucyl)amino]éthyl}(hydroxy)phosphoryl]méthyl}-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-[[(R)-[(1R,1R)-1-[[(2S)-2-(acetylamino)-4-methyl-1-oxopentyl]amino]ethyl]hydroxyphosphinyl]methyl]-, (αS)- [ACD/Index Name]
Benzenebutanoic acid, α-[[[(1R)-1-[[(2S)-2-(acetylamino)-4-methyl-1-oxopentyl]amino]ethyl]hydroxyphosphinyl]methyl]-, (αS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4528407/
LA9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 792.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 433.0±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 366.5±3.0 cm3

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