ChemSpider 2D Image | N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-alanyl-N-({(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-2-pyrrolidinyl}carbonyl)-L-alaninamide | C29H38F3N5O6S

N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-alanyl-N-({(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-2-pyrrolidinyl}carbonyl)-L-alaninamide

  • Molecular FormulaC29H38F3N5O6S
  • Average mass641.702 Da
  • Monoisotopic mass641.249512 Da
  • ChemSpider ID115015

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-L-alanyl-N-[[(2S)-1-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-2-pyrrolidinyl]carbonyl]- [ACD/Index Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-alanyl-N-({(2S)-1-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-2-pyrrolidinyl}carbonyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-L-alanyl-N-({(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-2-pyrrolidinyl}carbonyl)-L-alaninamide [ACD/IUPAC Name]
N-{[5-(Diméthylamino)-1-naphtyl]sulfonyl}-L-alanyl-N-({(2S)-1-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-2-pyrrolidinyl}carbonyl)-L-alaninamide [French] [ACD/IUPAC Name]
123285-50-7 [RN]
Dansyl-ala-ala-pro-val-CF3
Mdl 27,324

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

Mdl 27324 [DBID]

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: 1.562
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 253.71
ACD/KOC (pH 5.5): 1808.95
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.20
ACD/KOC (pH 7.4): 1855.16
Polar Surface Area: 153 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 488.8±3.0 cm3

Click to predict properties on the Chemicalize site


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