ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanyl-N-{(1R)-1-[(R)-{[(2S)-1-{[(1S)-1-carboxyethyl]amino}-1-oxo-2-propanyl]oxy}(hydroxy)phosphoryl]-2-methylpropyl}-L-prolinamide | C26H46N5O11P

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanyl-N-{(1R)-1-[(R)-{[(2S)-1-{[(1S)-1-carboxyethyl]amino}-1-oxo-2-propanyl]oxy}(hydroxy)phosphoryl]-2-methylpropyl}-L-prolinamide

  • Molecular FormulaC26H46N5O11P
  • Average mass635.644 Da
  • Monoisotopic mass635.293152 Da
  • ChemSpider ID4593504

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-L-alanyl-N-[(1R)-1-[(R)-[(1S)-2-[[(1S)-1-carboxyethyl]amino]-1-methyl-2-oxoethoxy]hydroxyphosphinyl]-2-methylpropyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanyl-N-{(1R)-1-[(R)-{[(2S)-1-{[(1S)-1-carboxyethyl]amino}-1-oxo-2-propanyl]oxy}(hydroxy)phosphoryl]-2-methylpropyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanyl-N-{(1R)-1-[(R)-{[(2S)-1-{[(1S)-1-carboxyethyl]amino}-1-oxo-2-propanyl]oxy}(hydroxy)phosphoryl]-2-methylpropyl}-L-prolinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanyl-N-{(1R)-1-[(R)-{[(2S)-1-{[(1S)-1-carboxyéthyl]amino}-1-oxo-2-propanyl]oxy}(hydroxy)phosphoryl]-2-méthylpropyl}-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.521
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -5.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 497.3±3.0 cm3

Click to predict properties on the Chemicalize site


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