ChemSpider 2D Image | (4R)-3-[(2S,3S)-3-{[(4-Amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-1,3-thiazolidine-4-carboxamide | C30H40N4O5S

(4R)-3-[(2S,3S)-3-{[(4-Amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC30H40N4O5S
  • Average mass568.727 Da
  • Monoisotopic mass568.271912 Da
  • ChemSpider ID8048457

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-3-[(2S,3S)-3-{[(4-Amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-[(2S,3S)-3-{[(4-Amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4r)-3-[(2s,3s)-3-{[(4-Amino-2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-5,5-Dimethyl-N-(2-Methylprop-2-En-1-Yl)-1,3-Thiazolidine-4-Carboxamide
(4R)-3-[(2S,3S)-3-{[2-(4-Amino-2,6-diméthylphénoxy)acétyl]amino}-2-hydroxy-4-phénylbutanoyl]-5,5-diméthyl-N-(2-méthyl-2-propén-1-yl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[(2S,3S)-3-[[2-(4-amino-2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-, (4R)- [ACD/Index Name]
KNJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 884.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 162.68
ACD/KOC (pH 5.5): 1208.85
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.64
ACD/KOC (pH 7.4): 1691.58
Polar Surface Area: 159 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

Click to predict properties on the Chemicalize site


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