ChemSpider 2D Image | (3S)-N-{4-[(Dimethylamino)methyl]benzyl}-3-({N-[(2S)-3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-L-alanyl}amino)-4-methyl-2-oxopentanamide | C33H45N5O5

(3S)-N-{4-[(Dimethylamino)methyl]benzyl}-3-({N-[(2S)-3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-L-alanyl}amino)-4-methyl-2-oxopentanamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID58130198
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S)-N-{4-[(Dimethylamino)methyl]benzyl}-3-({N-[(2S)-3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-L-alanyl}amino)-4-methyl-2-oxopentanamid [German] [ACD/IUPAC Name]
(3S)-N-{4-[(Dimethylamino)methyl]benzyl}-3-({N-[(2S)-3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-L-alanyl}amino)-4-methyl-2-oxopentanamide [ACD/IUPAC Name]
(3S)-N-{4-[(Diméthylamino)méthyl]benzyl}-3-({N-[(2S)-3,3-diméthyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-L-alanyl}amino)-4-méthyl-2-oxopentanamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, N-[(1S)-2-[[(1S)-3-[[[4-[(dimethylamino)methyl]phenyl]methyl]amino]-1-(1-methylethyl)-2,3-dioxopropyl]amino]-1-methyl-2-oxoethyl]-α-(1,1-dimethylethyl)-1,3-dihydro-1-oxo- , (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 21.64
Polar Surface Area: 128 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 506.2±3.0 cm3

Click to predict properties on the Chemicalize site






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