ChemSpider 2D Image | thyl-, (1R,2S,5S)- | C36H53N7O6

thyl-, (1R,2S,5S)-

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID4983785

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,5S)-3-(N-{(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-L-valyl)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1R,2S,5S)-3-(N-{(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}-3-methyl-L-valyl)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC Name]
(1R,2S,5S)-3-(N-{(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acétyl}-3-méthyl-L-valyl)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-6,6-diméthyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxamide, 3-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-6,6-di methyl-, (1R,2S,5S)- [ACD/Index Name]
3-azabicyclo[3.1.0]hexane-2-carboxamide, 3-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(pyrazinylcarbonyl)amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-6,6-dime
thyl-, (1R,2S,5S)-
3-azabicyclo[3.1.0]hexane-2-carboxamide, 3-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(pyrazinylcarbonyl)amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-6,6-dimethyl-, (1R,2S,5S)-

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

AIDS343334 [DBID]
AIDS-343334 [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: 1.583
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.71
ACD/KOC (pH 5.5): 1639.76
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.70
ACD/KOC (pH 7.4): 1639.71
Polar Surface Area: 180 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 542.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement