ChemSpider 2D Image | N~2~-[(2S)-3-[(2-Methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-L-valinamide | C32H40N2O5S

N2-[(2S)-3-[(2-Methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-L-valinamide

  • Molecular FormulaC32H40N2O5S
  • Average mass564.735 Da
  • Monoisotopic mass564.265808 Da
  • ChemSpider ID9299730

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Naphthalenepropanamide, α-[[(1,1-dimethylethyl)sulfonyl]methyl]-N-[(1S)-1-[[[(1S)-1-formyl-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, (αS)- [ACD/Index Name]
N2-[(2S)-3-[(2-Methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-[(2S)-3-[(2-Methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-L-valinamide [ACD/IUPAC Name]
N2-[(2S)-3-[(2-Méthyl-2-propanyl)sulfonyl]-2-(1-naphtylméthyl)propanoyl]-N-[(2S)-1-oxo-3-phényl-2-propanyl]-L-valinamide [French] [ACD/IUPAC Name]
(2S)-3-methyl-2-[(2S)-3-(2-methylpropane-2-sulfonyl)-2-[(naphthalen-1-yl)methyl]propanamido]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
145525-29-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 832.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 457.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2825.34
ACD/KOC (pH 5.5): 10277.12
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2825.33
ACD/KOC (pH 7.4): 10277.08
Polar Surface Area: 118 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

Click to predict properties on the Chemicalize site


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