ChemSpider 2D Image | (2R)-2-[(2-Amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-3-cyclohexyl-1-hydroxy-1-[(3S)-1,5,5-trimethyl-2-oxo-3-pyrrolidinyl]-2-propanyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]su ccinamide | C36H54N6O5S

(2R)-2-[(2-Amino-1,3-thiazol-4-yl)methyl]-N1-{(1S,2S)-3-cyclohexyl-1-hydroxy-1-[(3S)-1,5,5-trimethyl-2-oxo-3-pyrrolidinyl]-2-propanyl}-N4-[2-(dimethylamino)-2-oxoethyl]-N4-[(1S)-1-phenylethyl]su ccinamide

  • Molecular FormulaC36H54N6O5S
  • Average mass682.916 Da
  • Monoisotopic mass682.387634 Da
  • ChemSpider ID4883350

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-2-[(2-Amino-1,3-thiazol-4-yl)methyl]-N1-{(1S,2S)-3-cyclohexyl-1-hydroxy-1-[(3S)-1,5,5-trimethyl-2-oxo-3-pyrrolidinyl]-2-propanyl}-N4-[2-(dimethylamino)-2-oxoethyl]-N4-[(1S)-1-phenylethyl]su ccinamid [German] [ACD/IUPAC Name]
(2R)-2-[(2-Amino-1,3-thiazol-4-yl)methyl]-N1-{(1S,2S)-3-cyclohexyl-1-hydroxy-1-[(3S)-1,5,5-trimethyl-2-oxo-3-pyrrolidinyl]-2-propanyl}-N4-[2-(dimethylamino)-2-oxoethyl]-N4-[(1S)-1-phenylethyl]su ccinamide [ACD/IUPAC Name]
(2R)-2-[(2-Amino-1,3-thiazol-4-yl)méthyl]-N1-{(1S,2S)-3-cyclohexyl-1-hydroxy-1-[(3S)-1,5,5-triméthyl-2-oxo-3-pyrrolidinyl]-2-propanyl}-N4-[2-(diméthylamino)-2-oxoéthyl]-N4-[(1S)-1-phényléthyl]su ccinamide [French] [ACD/IUPAC Name]
(2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N1-{(1s,2s)-1-(Cyclohexylmethyl)-2-Hydroxy-2-[(3r)-1,5,5-Trimethyl-2-Oxopyrrolidin-3-Yl]ethyl}-N4-[2-(Dimethylamino)-2-Oxoethyl]-N4-[(1s)-1-Phenylethyl]butanediamide
Butanediamide, 2-[(2-amino-4-thiazolyl)methyl]-N1-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3S)-1,5,5-trimethyl-2-oxo-3-pyrrolidinyl]ethyl]-N4-[2-(dimethylamino)-2-oxoethyl]-N4-[(1S)-1-phenyle
 thyl]-, (2R)- [ACD/Index Name]
0QB
DMF-PHC-HII-CHA-IP4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 908.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.2±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 188.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 85.45
ACD/KOC (pH 5.5): 816.78
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.22
ACD/KOC (pH 7.4): 900.65
Polar Surface Area: 177 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 570.9±3.0 cm3

Click to predict properties on the Chemicalize site


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