ChemSpider 2D Image | N-[(2S,4S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-[methyl({2-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide | C37H42D6N6O5S2

N-[(2S,4S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide

  • Molecular FormulaC37H42D6N6O5S2
  • Average mass726.981 Da
  • Monoisotopic mass726.350403 Da
  • ChemSpider ID114392635

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Carbamic acid, N-[(2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-[1-(methyl-d3)ethyl-2,2,2-d3]-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-t hiazolylmethyl ester [ACD/Index Name]
N-[(2S,4S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide [ACD/IUPAC Name]
N-[(2S,4S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-[méthyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}méthyl)carbamoyl]-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 947.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 198.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4357.80
ACD/KOC (pH 5.5): 14000.30
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4363.16
ACD/KOC (pH 7.4): 14017.54
Polar Surface Area: 202 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 581.7±3.0 cm3

Click to predict properties on the Chemicalize site


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